(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene

C12H8Cl6O

CAS60-57-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene

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Identification

CAS Number
60-57-1
EC Number
200-484-5
UN Number
2761
Index Number
602-049-00-9
PubChem CID
969491

Physical-chemical properties

Molecular Formula
C12H8Cl6O
Molar Mass
380.90 g/mol
IUPAC Name
(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene

Chemical Identifiers

InChI
InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-
InChI Key
DFBKLUNHFCTMDC-PICURKEMSA-N

Overview

(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene (CAS 60-57-1) is a highly chlorinated organic compound with exceptional persistence and bioaccumulation properties. This complex pentacyclic structure, with molecular formula C12H8Cl6O and molecular weight 380.9 g/mol, represents one of the most environmentally persistent organochlorine compounds known to industrial chemistry. The molecule features six chlorine atoms strategically positioned on a rigid polycyclic framework, contributing to its remarkable chemical stability and resistance to degradation. EC number 200-484-5 identifies this substance in European chemical inventories, where it is classified under multiple hazard categories reflecting its significant toxicological profile. The compound exhibits acute toxicity (Category 1 and 3), carcinogenic potential (Category 2), and specific target organ toxicity following repeated exposure (Category 1). Its environmental impact is equally concerning, classified as Aquatic Acute 1 and Aquatic Chronic 1, indicating severe immediate and long-term effects on aquatic ecosystems. Transport regulations classify it under ADR Class 6.1 as a toxic substance, requiring specialized handling protocols. Unlike simpler aromatic compounds such as N-methylaniline or phenylhydrazine, this chlorinated structure demonstrates extreme environmental persistence. Industrial applications have historically included use as an insecticide in agricultural settings, wood preservation treatments, and specialized chemical synthesis processes where its stability properties were advantageous. Modern applications focus primarily on research purposes and specialized industrial processes under strict regulatory oversight. OYSI maintains availability of this regulated compound for qualified industrial customers, ensuring full compliance with European chemical safety regulations and proper documentation for controlled substance handling.

Safety & Classification

Danger
Classification:

Carc. 2; Acute Tox. 1; Acute Tox. 3 *; STOT RE 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H310

Fatal in contact with skin.

H301

Toxic if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

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

Skin Contact

Fatal

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:

Ingestion

Toxic

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 Number2761
ADR Class6.1
Packing GroupI
Tunnel CodeC/E
Proper Shipping NameDieldrin (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene?

(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene is a highly chlorinated organic compound with the molecular formula C12H8Cl6O and CAS number 60-57-1. This complex polycyclic structure contains six chlorine atoms and has a molecular weight of 380.9 g/mol. It is classified as a highly hazardous substance with carcinogenic properties, acute toxicity, and significant environmental impact, requiring extreme caution in handling and use.

What are the physicochemical properties of (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene?

This compound is a solid at room temperature with high chlorine content contributing to its stability and persistence. The molecular structure contains multiple ring systems with six chlorine substituents, making it lipophilic and poorly water-soluble. Its complex stereochemistry and heavy chlorination result in significant bioaccumulation potential. The compound exhibits high chemical stability due to its saturated ring structure and chlorine substitution pattern, which also contributes to its environmental persistence.

What is (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene used for?

This compound has historically been used as a pesticide and insecticide due to its high toxicity to insects and pests. However, due to its classification as a potential carcinogen (Carc. 2) and extremely high toxicity (Acute Tox. 1), its use is now heavily restricted or banned in many applications. Current uses are limited to specialized research applications and specific industrial processes under strict regulatory control, requiring special authorization and safety protocols.

How to handle (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene safely?

This substance requires maximum safety precautions due to its Acute Tox. 1 classification and carcinogenic properties. Mandatory PPE includes full-face respirators with appropriate filters, chemical-resistant gloves, protective clothing, and eye protection. Work must be conducted in well-ventilated areas or fume hoods to prevent inhalation. Avoid skin contact, ingestion, and inhalation at all costs. Emergency procedures and decontamination protocols must be established before handling. Only trained personnel should work with this material.

How to store (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene correctly?

This compound must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Use original containers or approved secondary containment systems with proper labeling including GHS pictogrammes (GHS08, GHS06, GHS09). Storage areas should be secured with restricted access due to the extreme toxicity. Implement spill containment measures and maintain separation from oxidizing agents, acids, and bases. Regular container inspection is essential to prevent leaks that could cause environmental contamination.

What to do in case of contact with (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene?

Immediate medical attention is required for any exposure due to Acute Tox. 1 classification. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately and provide artificial respiration if needed. For eye contact, flush with water for at least 15 minutes. Never induce vomiting if ingested. Contact emergency services immediately and provide the safety data sheet to medical personnel. Decontaminate affected areas properly.

How to dispose of (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene appropriately?

This substance requires disposal as hazardous waste through authorized waste management companies due to its extreme toxicity and environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). High-temperature incineration in specialized facilities is typically required. Never dispose of through normal waste streams, sewers, or soil. Contaminated materials including PPE, containers, and cleanup materials must also be treated as hazardous waste. Follow local and EU waste regulations, including proper documentation and tracking throughout the disposal process.

How to transport (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene?

This substance is classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating maximum danger during transport. Transportation requires specialized packaging meeting UN specifications, proper hazard labels, and transport documents. Only authorized carriers with dangerous goods certification can transport this material. Emergency response information must accompany shipments. Due to the extreme toxicity and environmental hazards, additional safety measures including route planning and emergency response protocols are essential for safe transportation.

Is (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene subject to specific regulations?

This substance is subject to extensive regulatory oversight under REACH, CLP, and potentially Stockholm Convention on Persistent Organic Pollutants due to its toxicity profile. While not currently listed as SVHC, its Carc. 2 classification and extreme toxicity make it subject to strict authorization requirements. Many jurisdictions have banned or severely restricted its use. Import/export may require special permits, and use is limited to essential applications with no safer alternatives. Regular regulatory updates should be monitored for compliance.

Where to buy (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene in Europe?

OYSI is a specialized European distributor that can provide access to this highly regulated substance for authorized users. Due to its extreme toxicity classification and regulatory restrictions, procurement requires proper authorization, justified use documentation, and compliance with local regulations. OYSI ensures proper handling, packaging, and documentation throughout the supply chain. Contact OYSI directly to discuss specific requirements, regulatory compliance, and availability for your authorized application while ensuring all safety and legal requirements are met.

Services for (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene

ADR Consulting for (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene

(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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