(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
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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 cyclic compound with exceptional persistence and bioaccumulation properties. This complex organochlorine compound, with molecular formula C12H8Cl6O and molecular weight 380.9 g/mol, represents one of the most structurally intricate synthetic chemicals in industrial chemistry. The pentacyclic cage structure incorporates six chlorine atoms and an ether bridge, creating a remarkably stable molecular architecture that exhibits extraordinary resistance to degradation processes. The compound's unique stereochemistry, defined by eight chiral centers, contributes to its distinctive physicochemical properties and biological activity profile. The substance presents significant safety considerations, classified under multiple hazard categories including Carc. 2 for carcinogenicity concerns, Acute Tox. 1 for severe acute toxicity, and STOT RE 1 for specific target organ toxicity following repeated exposure. Its environmental persistence is reflected in the Aquatic Acute 1 and Aquatic Chronic 1 classifications, indicating substantial risks to aquatic ecosystems. Transport regulations classify it under ADR Class 6.1, requiring specialized handling protocols similar to other toxic organic compounds such as N-methylaniline and phenylhydrazine. Industrial applications historically centered on agricultural pest control formulations, specialized polymer synthesis, and research applications requiring compounds with extreme chemical stability. The compound's unique molecular framework also finds use in advanced materials research and as a reference standard in analytical chemistry laboratories. OYSI maintains availability of this specialized organochlorine compound for qualified industrial customers, ensuring compliance with all applicable European chemical regulations and safety requirements.

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 molecular weight of 380.9 g/mol. This complex polycyclic structure contains six chlorine atoms and features a pentacyclic framework with an oxygen bridge. The compound is classified as extremely hazardous with carcinogenic, acute toxic, and environmentally harmful properties, requiring strict handling protocols in industrial applications.

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 hexachlorinated compound is a solid crystalline substance at room temperature due to its high molecular weight of 380.9 g/mol and extensive chlorination. The compound exhibits low water solubility due to its highly chlorinated structure but shows good solubility in organic solvents. Its polycyclic structure with multiple chlorine substitutions contributes to its chemical stability and persistence. The compound's physical properties make it suitable for specific industrial applications requiring stable, chlorinated intermediates.

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 highly chlorinated compound serves as a specialized chemical intermediate in advanced organic synthesis and pharmaceutical research applications. Its complex polycyclic structure with multiple chlorine atoms makes it valuable for developing agrochemicals, specialty polymers, and fine chemical products. The compound's unique stereochemistry and functional groups enable its use in stereoselective synthesis processes. Due to its hazardous classification, applications are strictly limited to professional industrial settings with appropriate safety measures and regulatory compliance.

How to safely 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?

Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection due to its Acute Tox. 1 and Carc. 2 classifications. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Personnel must be trained in emergency procedures and equipped with eyewash stations and safety showers. All operations should follow strict protocols to minimize skin contact and vapor exposure, with immediate decontamination procedures readily available.

How to properly 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?

Storage requires secure, temperature-controlled facilities with restricted access due to the compound's high toxicity classification. Containers must be tightly sealed and stored in cool, dry conditions away from incompatible materials such as strong oxidizers and reducing agents. Secondary containment is essential to prevent environmental release given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Storage areas must have appropriate ventilation, fire suppression systems, and emergency spill response equipment readily accessible for personnel safety.

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 action is critical due to the compound's Acute Tox. 1 classification - remove contaminated clothing and flush affected skin or eyes with copious amounts of water for at least 15 minutes. If inhaled, move the person to fresh air immediately and provide oxygen if breathing is difficult. Seek immediate medical attention for all exposure routes, informing medical personnel of the specific chemical involved. Do not induce vomiting if ingested, and maintain the person's airway, breathing, and circulation while awaiting emergency medical response.

How to properly 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?

Disposal must comply with hazardous waste regulations due to its high toxicity and environmental classifications (Aquatic Acute 1, Aquatic Chronic 1). The compound requires treatment at licensed hazardous waste incineration facilities capable of handling chlorinated organics at high temperatures. Never dispose of in regular waste streams, sewers, or soil due to environmental persistence and toxicity. All disposal activities must be documented and conducted through certified waste management companies with appropriate permits and tracking documentation for regulatory compliance.

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?

Transportation is regulated under ADR Class 6.1 (Toxic substances) Packing Group I, requiring the highest level of packaging and documentation standards. Shipments must use UN-approved packaging with appropriate hazard labels and placarding. Drivers require ADR certification and specialized training for handling toxic materials. Vehicle requirements include emergency equipment, route restrictions, and mandatory rest periods. All transport documentation must include emergency response information and 24-hour emergency contact numbers for immediate assistance during incidents.

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 compound is subject to comprehensive regulatory oversight under REACH registration requirements, CLP hazard classification (Carc. 2, Acute Tox. 1), and potentially PIC Regulation for international trade. While not currently listed as an SVHC, its high toxicity profile requires strict compliance with occupational exposure limits and environmental protection measures. Import/export may require licenses due to its toxic classification. Companies must maintain safety data sheets, implement risk management measures, and report downstream use information to ensure regulatory compliance across the supply chain.

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 serves as a specialized European distributor for this highly regulated chemical compound, providing compliant supply chain management for industrial customers. As a professional chemical distributor, OYSI ensures proper documentation, packaging, and regulatory compliance for Class 6.1 toxic materials. Our technical support team assists with safety data sheets, transport documentation, and regulatory guidance. Contact OYSI directly to discuss availability, quantities, and specific requirements for your industrial applications while ensuring full compliance with European chemical regulations.

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.