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Home > Encyclopedia > Propyl isocyanate

Propyl isocyanate

Propyl isocyanate structure

Propyl isocyanate 

structure
  • CAS No:

    110-78-1

  • Formula:

    C4H7NO

  • Chemical Name:

    Propyl isocyanate

  • Synonyms:

    Propane,1-isocyanato-;Isocyanic acid,propyl ester;1-Isocyanatopropane;Propyl isocyanate;1-Propyl isocyanate;n-Propyl isocyanate;NSC 89688

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

N-PROPYL ISOCYANATE is a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.


N-propyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.


N-propyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.

Propyl isocyanate Basic Attributes

85.1

85.10

203-803-6

89688

2482

DTXSID5051571

29291090

Characteristics

29.4

0.73220

Clear yellow Liquid

0.908 g/mL at 25 °C(lit.)

-30 °C

83.5 °C

32 °F

n20/D 1.394(lit.)

H2O: reacts vigorously

Flammables area

Intravenous injection-mouse LD50: 56 mg/kg

combustible;

Highly flammable. May react with water slowly to produce a toxic cyanide vapor. Insoluble in water.

Isocyanates and Isothiocyanates

Highly Flammable

Isocyanates and thioisocyanates, such as PROPYL ISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide.

Safety Information

I

6.1(a)

UN 2482 6.1/PG 1

1

11-20/21/22-37/38-41-42/43-42-34-26-22-14

23-26-36/37/39-45-38-16

NR0190000

F,Xn,T+

Treasury is ventilated, low temperature and dry; stored and transported separately from oxidant

Explosive when mixed with air

P210-P261-P280-P305 + P351 + P338-P342 + P311

H225-H302 + H312 + H332-H315-H317-H318-H334-H335

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. (ERG, 2016)|Flammable - 3rd degree

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: Note: Most foams will react with the material and release corrosive/toxic gases. CAUTION: For Acetyl chloride (UN1717), use CO2 or dry chemical only. SMALL FIRE: CO2, dry chemical, dry sand, alcohol-resistant foam. LARGE FIRE: Water spray, fog or alcohol-resistant foam. FOR CHLOROSILANES, DO NOT USE WATER; use AFFF alcohol-resistant medium-expansion foam. Move containers from fire area if you can do it without risk. Use water spray or fog; do not use straight streams. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. (ERG, 2016)

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: See ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 2482 datasheet. 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 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: 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 damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. A vapor-suppressing foam may be used to reduce vapors. FOR CHLOROSILANES, use AFFF alcohol-resistant medium-expansion foam to reduce vapors. DO NOT GET WATER on spilled substance or inside containers. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Prevent entry into waterways, sewers, basements or confined areas. SMALL SPILL: Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. (ERG, 2016)

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. (ERG, 2016)

Toxicity

highly toxic

Drug Information

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)

Propyl isocyanate Use and Manufacturing

Methods of Manufacturing

The preparation method is to put xylene and isopropylamine into the reactor, when the temperature drops below 15℃, add hydrochloric acid dropwise, the temperature does not exceed 25℃, heat azeotropic dehydration, until the dehydration is complete, reduce the temperature to room temperature, transfer the materials Put it into the isopropyl isocyanate reactor, raise the temperature to 80°C, pass in phosgene, and the material is transparent and clear as the end point. Purify phosgene and hydrogen chloride with nitrogen until the tail gas is neutral. After cooling to room temperature, transfer the materials to the distillation kettle, and collect the fraction at 74-78°C by distillation to obtain the product.

Uses

Isopropyl isocyanate is an intermediate of the fungicide isoflurane.

Propane, 1-isocyanato-: ACTIVE

Fire Hazards -> Flammable - 3rd degree

Computed Properties

Molecular Weight:85.10
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:85.052763847
Monoisotopic Mass:85.052763847
Topological Polar Surface Area:29.4
Heavy Atom Count:6
Complexity:63.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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