2-methylpropanoyl chloride

C4H7ClO

CAS79-30-1
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
Danger

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Identification

CAS Number
79-30-1
EC Number
201-194-1
UN Number
2395
Index Number
607-140-00-7
PubChem CID
62325

Physical-chemical properties

Molecular Formula
C4H7ClO
Molar Mass
106.55 g/mol
IUPAC Name
2-methylpropanoyl chloride

Chemical Identifiers

InChI
InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
InChI Key
DGMOBVGABMBZSB-UHFFFAOYSA-N

Overview

2-methylpropanoyl chloride (CAS 79-30-1) is an acyl chloride compound with high reactivity and flammable properties used in organic synthesis applications. This branched-chain acyl chloride, also known by its IUPAC designation 2-methylpropanoyl chloride, represents a crucial intermediate in organic chemistry with the molecular formula C4H7ClO and molecular weight of 106.55 g/mol. The compound features a characteristic acyl chloride functional group attached to a branched propyl chain, making it particularly valuable for introducing isobutyryl groups into target molecules through nucleophilic acyl substitution reactions. The substance exhibits significant safety considerations, classified under GHS pictograms GHS02 and GHS05 with a "Danger" signal word. Its dual classification as Flammable Liquid Category 2 and Skin Corrosive Category 1A requires careful handling protocols and appropriate safety equipment. The compound's high reactivity, particularly with water and alcohols, necessitates storage under anhydrous conditions and proper ventilation systems. Transportation falls under ADR Class 3 regulations due to its flammable nature. Industrial applications primarily center on pharmaceutical intermediate synthesis, where 2-methylpropanoyl chloride serves as an acylating agent for producing various drug compounds and active pharmaceutical ingredients. The chemical industry utilizes this compound in manufacturing specialty chemicals, including polymer additives and agricultural chemical intermediates. While structurally different from compounds like prop-2-enenitrile, both serve important roles in synthetic organic chemistry, though 2-methylpropanoyl chloride offers unique reactivity patterns due to its acyl chloride functionality. OYSI provides reliable access to 2-methylpropanoyl chloride for European industrial customers, ensuring quality standards and regulatory compliance for demanding synthesis applications.

Safety & Classification

Danger
Classification:

Flam. Liq. 2; Skin Corr. 1A

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H225

Highly flammable liquid and vapour.

H314

Causes severe skin burns and eye damage.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number2395
ADR Class3
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameIsobutyrylchlorid
Marine PollutantNo

Frequently Asked Questions

What is 2-methylpropanoyl chloride?

2-methylpropanoyl chloride is an organic chemical compound with the molecular formula C4H7ClO and CAS number 79-30-1. This acyl chloride has a molecular weight of 106.55 g/mol and belongs to the family of acid chlorides derived from carboxylic acids. It is classified as a flammable liquid and highly corrosive substance, requiring careful handling due to its reactive nature and potential health hazards.

What are the physicochemical properties of 2-methylpropanoyl chloride?

2-methylpropanoyl chloride is a colorless to pale yellow liquid at room temperature with a pungent, acrid odor characteristic of acid chlorides. The compound has a molecular weight of 106.55 g/mol and reacts violently with water, producing hydrogen chloride gas and the corresponding carboxylic acid. It is soluble in organic solvents but hydrolyzes rapidly in the presence of moisture, making it highly reactive toward nucleophiles.

What is 2-methylpropanoyl chloride used for?

2-methylpropanoyl chloride is primarily used as an acylating agent in organic synthesis for the preparation of esters, amides, and other derivatives. It serves as an important intermediate in pharmaceutical manufacturing, agrochemical production, and fine chemical synthesis. The compound is particularly valuable in pharmaceutical research for introducing isobutyryl groups into target molecules and in the production of specialty chemicals requiring specific acyl functionalities.

How to handle 2-methylpropanoyl chloride safely?

2-methylpropanoyl chloride requires strict safety measures including chemical-resistant gloves, safety goggles, and protective clothing due to its corrosive nature (Skin Corr. 1A). Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation of vapors. Keep away from heat sources, sparks, and open flames as it is classified as Flam. Liq. 2. Always have appropriate fire extinguishing equipment and emergency eyewash stations readily available.

How to store 2-methylpropanoyl chloride correctly?

2-methylpropanoyl chloride must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from moisture, heat sources, and incompatible materials. Keep containers away from water and alcohols as the compound reacts violently with these substances. Storage areas should be equipped with appropriate fire suppression systems and spill containment measures. Ensure containers are properly labeled and stored according to flammable liquid storage regulations.

What to do in case of contact with 2-methylpropanoyl chloride?

In case of skin contact with 2-methylpropanoyl chloride, immediately remove contaminated clothing and flush the affected area with copious amounts of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to its highly corrosive nature (Skin Corr. 1A), seek immediate medical attention for all exposures and never induce vomiting if ingested.

How to dispose of 2-methylpropanoyl chloride appropriately?

2-methylpropanoyl chloride must be disposed of as hazardous waste according to local and European waste regulations. The compound cannot be disposed of in regular waste streams due to its corrosive and flammable properties. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities may be carefully hydrolyzed under controlled conditions by trained personnel, but this should only be done following established safety protocols and environmental regulations.

How to transport 2-methylpropanoyl chloride?

2-methylpropanoyl chloride is classified under ADR Class 3 (flammable liquids), Packing Group II, requiring specialized transport procedures. Packages must comply with UN packaging requirements and be properly labeled with appropriate hazard placards. Transport vehicles must be equipped with appropriate safety equipment and drivers must have ADR certification. Shipping documentation must include proper shipping names, hazard classes, and emergency response information according to dangerous goods regulations.

Is 2-methylpropanoyl chloride subject to specific regulations?

2-methylpropanoyl chloride is subject to European REACH regulation requiring registration for manufacture or import above specified tonnages. It falls under CLP regulation with classifications as Flam. Liq. 2 and Skin Corr. 1A, requiring appropriate labeling with GHS02 and GHS05 pictograms. The compound is not currently listed as an SVHC substance, but users must comply with occupational safety regulations and may need permits for industrial use depending on quantities and applications.

Where to buy 2-methylpropanoyl chloride in Europe?

2-methylpropanoyl chloride is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures proper packaging, labeling, and transport of hazardous materials like 2-methylpropanoyl chloride according to European regulations and customer specifications.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.