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Isobutyryl chloride

Isobutyryl chloride structure

Isobutyryl chloride 

structure
  • CAS No:

    79-30-1

  • Formula:

    C4H7ClO

  • Chemical Name:

    Isobutyryl chloride

  • Synonyms:

    Propanoyl chloride,2-methyl-;Isobutyryl chloride;2-Methylpropanoyl chloride;Isobutyric acid chloride;2-Methylpropionyl chloride;Isobutyroyl chloride;Isobutanoyl chloride;α-Methylpropionyl chloride;Dimethylacetyl chloride;Chloro isopropyl ketone;2-Methylpropanoic acid chloride;2,2-Dimethylacetyl chloride;i-Butyryl chloride;Isopropanecarbonyl chloride;2-Propylcarbonyl chloride;120126-85-4;2137049-07-9

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Colorless liquid.Soluble in ether; reacts with water and alcohol.


Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.


Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Isobutyryl chloride Basic Attributes

106.55100

106.55

201-194-1

6617F0VJZC

2395

DTXSID0052542

29147090

Characteristics

17.07000

1.40780

Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

1.0084 g/cm3 @ Temp: 25 °C

-90 °C

92 °C

1ºC

1.406-1.408

Solubility in water: reaction

Store at RT.

0.07 mm Hg ( 20 °C)

Highly flammable. Produces corrosive toxic fumes containing HCl on contact with moist air. Decomposes in water. Based on a scenario where the chemical is spilled into an excess of water (at least 5 fold excess of water), half of the maximum theoretical yield of Hydrogen Chloride gas will be created in 0.29 minutes. Experimental details are in the following: "Development of the Table of Initial Isolation and Protective Distances for the 2008 Emergency Response Guidebook", ANL/DIS-09-2, D.F. Brown, H.M. Hartmann, W.A. Freeman, and W.D. Haney, Argonne National Laboratory, Argonne, Illinois, June 2009.

Acyl Halides, Sulfonyl Halides, and Chloroformates

Highly Flammable

ISOBUTYRYL CHLORIDE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

Safety Information

II

3

UN 2395

1

R11; R23; R35

S16-S26-S28-S36/37/39-S45

UC3944000

F; T

Stable under normal temperatures and pressures.

P210-P280-P305 + P351 + P338-P310

H225-H314

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: Flammable/combustible material. May be 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. (ERG, 2016)|Flammable - 3rd degree, Reactive - 2nd degree

|Danger|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P234, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P404, P405, and P501|Aggregated GHS information provided by 233 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: Some of these materials may react violently with water. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. LARGE FIRE: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal; do not scatter the material. Do not get water inside containers. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. 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. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. SPILL: See ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 2395 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 132 [Flammable Liquids - Corrosive]: Fully encapsulating, vapor-protective clothing should be worn for spills and leaks with no fire. 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 with earth, sand or other non-combustible material and transfer to containers (except for Hydrazine). 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)

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: 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)

Drug Information

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: May cause toxic effects if inhaled or ingested/swallowed. Contact with substance may cause severe burns to 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. (ERG, 2016)

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: 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. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)

Isobutyryl chloride Use and Manufacturing

Uses

In manufacture of chloranil electrodes for ph measurements, to manufacture compound used in dye industry, as reagent for pamaquine (plasmochin) in urine (blue color). Fungicide.

Production

< 25,000 lb

Propanoyl chloride, 2-methyl-: ACTIVE

Fire Hazards -> Flammable - 3rd degree, Reactive - 2nd degree

Computed Properties

Molecular Weight:106.55
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:106.0185425
Monoisotopic Mass:106.0185425
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:58.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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