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1-Chloropentane

1-Chloropentane structure

1-Chloropentane 

structure
  • CAS No:

    543-59-9

  • Formula:

    C5H11Cl

  • Chemical Name:

    1-Chloropentane

  • Synonyms:

    Pentane,1-chloro-;1-Chloropentane;Amyl chloride;Pentyl chloride;n-Pentyl chloride;n-Amyl chloride;NSC 7898

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

CLEAR COLOURLESS LIQUID


Amyl chloride appears as a clear colorless to light-brown liquid with an aromatic odor. Flash point may vary from 35 to 54°F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapors may be narcotic in high concentrations.


Amyl chloride appears as a clear colorless to light-brown liquid with an aromatic odor. Flash point may vary from 35 to 54°F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapors may be narcotic in high concentrations.

1-Chloropentane Basic Attributes

106.594

106.59

208-846-4

0EG9MSD3NK

7898

1107

Liquid|Colorless liquid

2903199000

Characteristics

0

3.10

Amyl chloride appears as a clear colorless to light-brown liquid with an aromatic odor. Flash point may vary from 35 to 54°F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapors may be narcotic in high concentrations.

0.8818 g/cm3 @ Temp: 20 °C

-99 °C

107.8 °C @ Press: 760 Torr

11.1±0.0 °C

1.406

practically insoluble

Flammables area

31.07 mm Hg at 25 deg C

3.67 (AIR= 1)

LOWER 1.6%; UPPER 8.6%

VAPOR MAY EXPLODE IF IGNITED IN AN ENCLOSED AREA.

Sweet odor

Henry's Law constant: 2.38X10-2 atm-cu m/mole

Forms a constant boiling mixture with water, BP 82 °C; ethanol, BP 72.5 °C|Enthalpy of formation: -213.2 kJ/mol (liquid); -174.9 kJ/mol (gas) (298.15 K)|Hydroxyl radical reaction rate constant: 3.36X10-12 cu cm/molec-sec at 22 °C

Highly flammable. Insoluble in water.

Halogenated Organic Compounds

Highly Flammable

AMYL CHLORIDE is incompatible with strong oxidizing and reducing agents. Also, incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

500 °F (USCG, 1999)|500 °F (260 °C)

-13,500 Btu/lb = -7,500 cal/g = -314X10+5 J/kg

Percent by volume: lower 1.6%; upper 8.6%

38.24 kJ/mol at 25 °C

Safety Information

II

3

UN 1107 3/PG 2

3

R11;R20/21/22

S9-S29

F:Flammable;Xn:Harmful;

Stable under recommended storage conditions.

P210-P280

H225-H302 + H312 + H332

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.|Product: Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material; Contaminated packaging: Dispose of as unused product.

Incompatible materials: Strong oxidizing agents, strong bases.|... Can react with oxidizing materials.

Special Hazards of Combustion Products: Irritating hydrogen chloride and toxic phosgene may be formed in fires. (USCG, 1999)|Flammable - 3rd degree

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P312, P322, P330, P363, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 117 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Protective goggles or face shield; rubber gloves. (USCG, 1999)|Eye/face protection: Face shield and safety glasses. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).|Skin protection: Handle with gloves.|Body Protection: Complete suit protecting against chemicals. Flame retardant antistatic protective clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Dangerous fire hazard when exposed to heat or flame ... .|Flammable.

Moderately explosive in the form of vapor when exposed to heat or flame.|LEL: 1.4%, UEL: 8.6%

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.|Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.|Use water spray to cool unopened containers.|To fight fire, use foam, /carbon dioxide/, dry chemical.|If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains.|Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Use explosion-proof equipment. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.|Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.|Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.|For more Preventive Measures (Complete) data for n-Amyl chloride (6 total), please visit the HSDB record page.

/GUIDE 129 FLAMMABLE LIQUIDS (Water-Miscible/Noxious)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.|/GUIDE 129 FLAMMABLE LIQUIDS (Water-Miscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 129 FLAMMABLE LIQUIDS (Water-Miscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind, uphill and/or upstream. Ventilate closed spaces before entering.|/GUIDE 129 FLAMMABLE LIQUIDS (Water-Miscible/Noxious)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for n-Amyl chloride (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials. Amyl chloride is included on the dangerous goods list.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article. Amyl chloride is included on the dangerous goods list.

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Amyl chloride is produced, as an intermediate or final product, by process units covered under this subpart.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.| 0 - Materials that in themselves are normally stable, even under fire conditions.

n-Amyl chloride was detected at unreported concentrations in gas samples collected from a landfill simulator using a mixture of municipal refuse and municipal wastewater sludges(1).

Toxicity

IDENTIFICATION AND USE: 1-Chloropentane is a liquid which is used as a chemical intermediate. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: Significant dose related decreases in serum triglyceride levels at 2 hours was observed following the administration of 1-chloropentane in male mice and rats. This effect was also observed in vitro in freshly prepared isolated hepatocytes. 1-Chloropentane induced positive genotoxic effects in wing spot number frequency test in Drosophila melanogaster even though it showed only moderate toxicity.

n-Amyl chloride's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 240(SRC), determined from a log Kow of 2.73(2) and a regression-derived equation(3), indicates that n-amyl chloride is expected to have moderate mobility in soil(SRC). Volatilization of n-amyl chloride from moist soil surfaces is expected to be an important fate process(SRC) given a estimated Henry's Law constant of 2.38X10-2 atm-cu m/mole(4). n-Amyl chloride is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 32.9 mm Hg at 25 °C(5). Using sewage sludge from domestic sewage treatment plants, a 2.8% Theoretical BOD was reported in 24 hours(6), suggesting that biodegradation is not an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 240(SRC), determined from a log Kow of 2.73(2) and a regression-derived equation(3), indicates that n-amyl chloride is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon a Henry's Law constant of 2.38X10-2 atm-cu m/mole(5). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 3 hours and 4 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 30(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low to moderate(SRC). Using sludge from domestic sewage treatment plants, a 2.8% Theoretical BOD was reported in 24 hours(7), suggesting that biodegradation is not an important environmental fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-amyl chloride, which has a vapor pressure of 32.9 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-amyl chloride is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 days(SRC), calculated from its rate constant of 3.36X10-12 cu cm/molecule-sec at 25 °C(3). n-Amyl chloride does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of n-amyl chloride with photochemically-produced hydroxyl radicals is 3.36X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 5 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). n-Amyl chloride is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). n-Amyl chloride does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 30 was calculated in fish for n-amyl chloride(SRC), using a log Kow of 2.73(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low to moderate(SRC).

The Koc of n-amyl chloride is estimated as 240(SRC), using a log Kow of 2.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-amyl chloride is expected to have moderate mobility in soil(SRC).

The Henry's Law constant for n-amyl chloride is 2.38X10-2 atm-cu m/mole(1). This Henry's Law constant indicates that n-amyl chloride is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4 days(SRC). n-Amyl chloride's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Amyl chloride is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 32.9 mm Hg(3).

DRINKING WATER: Drinking water samples collected from Miami, FL and Philadelphia, PA in 1976 contained n-amyl chloride at unreported concentrations(1). The compound was detected in finished water samples from a water treatment plant in central Maine, collected in 2006 at a distance of 10 km from the farthest end of the distribution system(2).

Amyl chloride, unspecified isomer, was detected in 2 (from Bayonne, NJ) of 8 samples (from 5 different US locations) of human mother's milk at unreported concentrations(1).

Occupational exposure to n-amyl chloride may occur through inhalation and dermal contact with this compound at workplaces where 1-chloropentane is produced or used. Limited monitoring data indicate that the general population is not likely to be exposed to 1-chloropentane. (SRC)

Drug Information

Inhalation causes mild irritation of mucous membranes. Ingestion of liquid or contact with skin or eyes causes mild irritation. (USCG, 1999)

INHALATION: remove to fresh air; apply artificial respiration if required. EYES: flush with water. SKIN: wash well with soap and water. INGESTION: induce vomiting; give water. (USCG, 1999)

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Halogenated aliphatic hydrocarbons and related compounds/|Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Cover skin burns with sterile dressings after decontamination ... . /Halogenated aliphatic hydrocarbons and related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of cardiac irritability and fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Halogenated aliphatic hydrocarbons and related compounds/

1-Chloropentane Use and Manufacturing

Methods of Manufacturing

Prepared from 1-pentanol and concentrated HCl in sealed tube at 120 °C.|(1) Distillation of amyl alcohol with salt and sulfuric acid, (2) addition of hydrochloric acid to alpha-amylene.

Uses

Chemical intermediate.

Grade: Technical

Pentane, 1-chloro-: ACTIVE

Fire Hazards -> Flammable - 3rd degree

Computed Properties

Molecular Weight:106.59
XLogP3:2.6
Rotatable Bond Count:3
Exact Mass:106.0549280
Monoisotopic Mass:106.0549280
Heavy Atom Count:6
Complexity:19.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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