1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene

C5Cl6

CAS77-47-4
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
77-47-4
EC Number
201-029-3
UN Number
2646
Index Number
602-078-00-7
PubChem CID
6478

Physical-chemical properties

Molecular Formula
C5Cl6
Molar Mass
272.80 g/mol
IUPAC Name
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene

Chemical Identifiers

InChI
InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
InChI Key
VUNCWTMEJYMOOR-UHFFFAOYSA-N

Overview

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (CAS 77-47-4) is a highly chlorinated cyclic organic compound with significant industrial applications and notable toxicological properties. This organochlorine compound, also known by its IUPAC designation 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene, represents a heavily halogenated derivative of cyclopentadiene with molecular formula C5Cl6 and molecular weight 272.8 g/mol. The substance exhibits the structural characteristics typical of polychlorinated cyclic compounds, featuring six chlorine atoms attached to a five-membered carbon ring system with conjugated double bonds. The compound presents significant safety considerations due to its classification under multiple acute toxicity categories (Acute Tox. 2, 3, and 4) and skin corrosion properties (Skin Corr. 1B), requiring careful handling protocols and appropriate personal protective equipment. Its environmental impact profile includes both acute and chronic aquatic toxicity classifications, necessitating strict containment measures during storage and use. The GHS pictogrammes GHS06, GHS05, and GHS09 reflect its toxic, corrosive, and environmentally hazardous nature, while its ADR class 6.1 designation indicates specific transport requirements for toxic substances. Industrial applications primarily focus on specialized chemical synthesis processes and as an intermediate in the production of certain pesticides and flame retardants. The compound serves as a precursor in manufacturing processes where its unique chlorinated structure provides specific reactivity patterns. Unlike simpler compounds such as prop-2-enal, this heavily chlorinated molecule offers distinct chemical properties suitable for specialized applications requiring halogenated intermediates. OYSI maintains reliable supply chains for 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene, ensuring consistent availability for qualified industrial customers across European markets with full regulatory compliance and technical support.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 3 *; Acute Tox. 4 *; Skin Corr. 1B; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H311

Toxic in contact with skin.

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Fatal

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

Toxic

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:

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 Number2646
ADR Class6.1
Packing GroupI
Tunnel CodeC/D
Proper Shipping NameHexachlorcyclopentadien
Marine PollutantNo

Frequently Asked Questions

What is 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene is a highly chlorinated cyclic organic compound with the molecular formula C5Cl6 and CAS number 77-47-4. This substance has a molecular weight of 272.8 g/mol and belongs to the family of chlorinated cyclopentadienes. It is classified as a highly toxic substance with corrosive properties and significant environmental hazards, requiring careful handling and specialized safety measures in industrial applications.

What are the physicochemical properties of 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene is a chlorinated organic compound that typically appears as a solid or viscous liquid at room temperature. Due to its high chlorine content and cyclic structure, it exhibits low volatility and limited water solubility. The substance is chemically stable under normal conditions but can decompose under extreme heat, releasing toxic chlorinated compounds. Its high molecular weight of 272.8 g/mol and dense chlorination contribute to its persistence in the environment.

What is 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene used for?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene is primarily used as a chemical intermediate in specialized industrial processes and research applications. Its highly chlorinated structure makes it valuable in the synthesis of other chlorinated compounds and as a reagent in specific chemical reactions. Due to its toxic and corrosive nature, its use is restricted to professional industrial settings with appropriate safety infrastructure and trained personnel capable of handling hazardous materials safely.

How to handle 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene safely?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene requires maximum protection due to its acute toxicity and corrosive properties. Essential PPE includes full chemical-resistant suits, supplied-air respiratory protection, and chemically resistant gloves and boots. Work must be conducted in well-ventilated areas or fume hoods with emergency eyewash and shower stations nearby. Only trained personnel should handle this substance, following strict protocols to prevent skin contact, inhalation, or ingestion. Emergency response procedures must be readily available.

How to store 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene correctly?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene must be stored in a cool, dry, well-ventilated area away from heat sources, incompatible materials, and direct sunlight. Use only approved containers resistant to chemical corrosion and ensure proper secondary containment. Storage areas should be equipped with spill control measures and restricted to authorized personnel only. Keep away from strong bases, metals, and oxidizing agents. Regular container inspection is essential to prevent leaks, and storage must comply with local hazardous material regulations.

What to do in case of contact with 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene?

Immediate action is critical due to the substance's acute toxicity and corrosive nature. For skin contact, remove contaminated clothing and flush affected areas with copious amounts of water for at least 15 minutes. If inhaled, move to fresh air immediately and provide respiratory support if needed. For eye contact, flush with water for at least 15 minutes. Seek immediate medical attention in all exposure cases. Do not induce vomiting if ingested. Emergency responders should be informed of the specific chemical involved and its hazardous properties.

How to dispose of 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene appropriately?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene must be disposed of as hazardous waste through licensed hazardous waste management facilities. Due to its toxic and environmentally harmful properties, it cannot be disposed of in regular waste streams or sewerage systems. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Incineration at high temperatures in specialized facilities equipped with appropriate emission controls is typically required. Consult with certified waste management professionals for proper disposal procedures.

How to transport 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene is classified under ADR Class 6.1, Packing Group I, indicating it is a highly toxic substance requiring maximum transport precautions. Transportation must comply with dangerous goods regulations using UN-approved packaging and labeling. Vehicles must carry appropriate emergency equipment and documentation. Only certified dangerous goods transporters should handle shipment. Proper shipping names, hazard labels, and emergency response information must accompany all shipments to ensure safe handling throughout the transport chain.

Is 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene subject to specific regulations?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene is subject to comprehensive EU chemical regulations including REACH registration and CLP classification requirements. Its classification as Acute Tox. 2-4, Skin Corr. 1B, and Aquatic Acute/Chronic 1 triggers strict labeling, safety data sheet, and handling requirements. While not currently listed as an SVHC, its hazardous properties subject it to workplace exposure limits, environmental discharge controls, and waste management regulations. Users must ensure compliance with occupational health and safety directives.

Where to buy 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene in Europe?

1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene is available through OYSI, a specialized European distributor of technical chemicals. As a highly regulated hazardous substance, procurement requires verification of legitimate industrial use and appropriate handling capabilities. OYSI ensures full regulatory compliance including proper documentation, safety data sheets, and transport arrangements meeting ADR requirements. Due to the substance's hazardous nature, sales are restricted to qualified industrial users with demonstrated expertise in handling toxic and corrosive materials safely.

Data Sources

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