2-chlorobuta-1,3-diene

C4H5Cl

CAS126-99-8
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Danger

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Identification

CAS Number
126-99-8
EC Number
204-818-0
UN Number
1991
Index Number
602-036-00-8
PubChem CID
31369

Physical-chemical properties

Molecular Formula
C4H5Cl
Molar Mass
88.53 g/mol
IUPAC Name
2-chlorobuta-1,3-diene

Chemical Identifiers

InChI
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
InChI Key
YACLQRRMGMJLJV-UHFFFAOYSA-N

Overview

2-chlorobuta-1,3-diene (CAS 126-99-8) is a halogenated conjugated diene with significant reactivity and industrial polymerization applications. This chlorinated butadiene derivative represents an important synthetic intermediate in the chemical industry, distinguished by its conjugated double bond system and the presence of a chlorine substituent. With the molecular formula C4H5Cl and a molecular weight of 88.53 g/mol, this compound exhibits enhanced reactivity compared to unsubstituted butadiene, making it valuable for specialized polymerization processes and chemical synthesis applications. The compound's structure features two conjugated double bonds with a chlorine atom attached to the second carbon, creating a system that readily participates in various addition and polymerization reactions. This reactivity profile positions 2-chlorobuta-1,3-diene as a useful monomer for producing specialized rubber and polymer materials with unique properties. Unlike simpler aromatic compounds such as styrene, this chlorinated diene offers distinct advantages in applications requiring specific chemical resistance or enhanced adhesion properties. Safety considerations are paramount when handling this material, as it carries significant hazard classifications including carcinogenicity (Category 1B), flammability, and potential for acute toxicity. The compound requires careful storage and handling procedures, appropriate personal protective equipment, and well-ventilated work areas to minimize exposure risks. Primary industrial applications include specialty polymer synthesis, rubber modification, and as an intermediate in the production of various chemical derivatives. The compound also serves in research and development applications where controlled polymerization and specific material properties are required. OYSI maintains reliable supply chains for 2-chlorobuta-1,3-diene to support diverse industrial applications across Europe.

Safety & Classification

Danger
Classification:

Flam. Liq. 2; Carc. 1B; Acute Tox. 4 *; Acute Tox. 4 *; STOT SE 3; STOT RE 2 *; Skin Irrit. 2; Ey...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H225

Highly flammable liquid and vapour.

H350

May cause cancer.

H332

Harmful if inhaled.

H302

Harmful if swallowed.

H335

May cause respiratory irritation.

H373

May cause damage to organs through prolonged or repeated exposure.

H315

Causes skin irritation.

H319

Causes serious eye irritation.

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

Inhalation

Harmful

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Irritant

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

Irritant

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:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 Number1991
ADR Class3
Packing GroupI
Tunnel CodeC/E
Proper Shipping NameChloropren, stabilisiert
Marine PollutantNo

Frequently Asked Questions

What is 2-chlorobuta-1,3-diene?

2-chlorobuta-1,3-diene is a chlorinated organic compound with the molecular formula C4H5Cl and CAS number 126-99-8. This chemical substance has a molecular weight of 88.53 g/mol and belongs to the family of chlorinated dienes. It is classified as a highly hazardous substance with multiple danger classifications including flammability, carcinogenicity, and toxicity properties that require careful handling in industrial applications.

What are the physicochemical properties of 2-chlorobuta-1,3-diene?

2-chlorobuta-1,3-diene is a volatile liquid at room temperature with characteristic properties typical of chlorinated organic compounds. As a diene compound, it contains two carbon-carbon double bonds making it reactive and prone to polymerization. The presence of chlorine affects its polarity and reactivity. Due to its volatile nature and chemical structure, it requires controlled storage conditions to prevent degradation and maintain stability.

What is 2-chlorobuta-1,3-diene used for?

2-chlorobuta-1,3-diene is primarily used as an intermediate in organic synthesis and polymer production. Its diene structure makes it valuable for polymerization reactions and as a building block for manufacturing specialty chemicals. Industrial applications include the production of synthetic rubber, adhesives, and other polymer-based materials. However, due to its carcinogenic classification (Carc. 1B), its use is strictly regulated and limited to controlled industrial processes.

How to handle 2-chlorobuta-1,3-diene safely?

2-chlorobuta-1,3-diene requires extensive safety precautions due to its multiple hazard classifications. Personal protective equipment must include chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Work should be conducted in fume hoods or controlled atmospheres to prevent inhalation exposure. Given its carcinogenic properties and acute toxicity, only trained personnel should handle this substance following strict safety protocols and workplace exposure limits.

How to store 2-chlorobuta-1,3-diene correctly?

2-chlorobuta-1,3-diene must be stored in a cool, dry, well-ventilated area away from heat sources and ignition due to its Flam. Liq. 2 classification. Storage containers should be tightly sealed to prevent vapor release and contamination. The substance should be kept away from incompatible materials and stored in areas with appropriate fire suppression systems. Temperature control is essential to prevent degradation and maintain product stability.

What to do in case of contact with 2-chlorobuta-1,3-diene?

2-chlorobuta-1,3-diene contact requires immediate emergency response due to its toxicity and irritant properties. For skin contact, remove contaminated clothing and rinse affected areas with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water and seek medical attention. If inhaled, move to fresh air immediately. Due to its acute toxicity classification, medical evaluation is recommended for any significant exposure incident.

How to dispose of 2-chlorobuta-1,3-diene appropriately?

2-chlorobuta-1,3-diene disposal must comply with hazardous waste regulations due to its carcinogenic and toxic properties. The substance cannot be disposed of through normal waste streams and requires specialized hazardous waste treatment facilities. Disposal must follow local and EU waste regulations, including proper classification, labeling, and documentation. Only authorized waste management companies should handle the disposal process to ensure environmental protection and regulatory compliance.

How to transport 2-chlorobuta-1,3-diene?

2-chlorobuta-1,3-diene is classified under ADR Class 3 (flammable liquids), Packing Group I, indicating high danger level for transportation. Transport requires specialized packaging, labeling with appropriate hazard pictogrammes (GHS02, GHS08, GHS07), and proper documentation. Vehicles must comply with ADR regulations for Class 3 substances, including appropriate safety equipment and driver certification. Only authorized carriers experienced in hazardous materials transport should handle shipments.

Is 2-chlorobuta-1,3-diene subject to specific regulations?

2-chlorobuta-1,3-diene is subject to extensive European regulations including REACH registration requirements and CLP classification obligations. Its carcinogenic classification (Carc. 1B) places it under strict workplace exposure limits and usage restrictions. The substance requires safety data sheets, hazard communication, and worker protection measures. Companies handling this chemical must comply with occupational health regulations and may need specific authorizations depending on intended use and quantities.

Where to buy 2-chlorobuta-1,3-diene in Europe?

2-chlorobuta-1,3-diene is available through specialized chemical distributors in Europe, including OYSI, which supplies high-quality chemical products to industrial customers. Due to its hazardous nature and regulatory requirements, procurement is typically limited to qualified industrial users with appropriate handling facilities and safety protocols. Suppliers must ensure proper documentation, safety data sheets, and compliance with transportation and storage requirements for this controlled substance.

Data Sources

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