(1R,2R,3R,6S,7S,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

CAS72-20-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for (1R,2R,3R,6S,7S,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
72-20-8
EC Number
200-775-7
UN Number
2761
Index Number
602-051-00-X
PubChem CID
12358480

Physical-chemical properties

Molecular Formula
C12H8Cl6O
Molar Mass
380.90 g/mol
IUPAC Name
(1R,2R,3R,6S,7S,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-GKRDHZSOSA-N

Overview

(1R,2R,3R,6S,7S,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 72-20-8) is a hexachlorinated organochlorine compound with complex pentacyclic structure and high toxicity profile. This highly chlorinated organic compound, with molecular formula C12H8Cl6O and molecular weight of 380.9 g/mol, represents a sophisticated pentacyclic structure containing six chlorine atoms strategically positioned within its framework. The substance exhibits significant biological activity due to its unique stereochemistry and extensive halogenation pattern, which contributes to its persistence and bioaccumulation potential in environmental systems. The compound's safety profile requires careful handling protocols, as it carries Acute Toxicity Category 2 and 3 classifications along with severe aquatic toxicity designations (Aquatic Acute 1 and Aquatic Chronic 1). The GHS06 and GHS09 pictograms indicate both acute toxicity and environmental hazards, while its ADR Class 6.1 classification mandates specific transport requirements for toxic substances. The "Danger" signal word emphasizes the need for comprehensive risk management procedures during handling, storage, and application. Industrial applications typically leverage the compound's chlorinated structure and biological activity profile, particularly in specialized chemical synthesis processes and research applications where its unique pentacyclic architecture provides specific reactivity patterns. The substance finds use in advanced organic synthesis as a building block for more complex molecular structures, and in specialized research applications requiring its distinctive stereochemical properties. Unlike related organophosphorus compounds such as 2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione, this hexachlorinated structure offers different reactivity profiles and application possibilities in synthetic chemistry. OYSI provides this specialized organochlorine compound to qualified industrial customers across Europe, ensuring proper regulatory compliance and technical support for safe handling procedures.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H300

Fatal if swallowed.

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

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:

Ingestion

Fatal

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 NameEndrin (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (1R,2R,3R,6S,7S,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,2R,3R,6S,7S,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 an organochlorine compound with molecular formula C12H8Cl6O and CAS number 72-20-8. This complex pentacyclic molecule contains six chlorine atoms and has a molecular weight of 380.9 g/mol. It is classified as highly toxic and environmentally hazardous, requiring careful handling and specialized knowledge for safe use.

What are the physicochemical properties of (1R,2R,3R,6S,7S,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 organochlorine compound is a solid at room temperature with high chlorine content contributing to its stability and persistence. The molecular structure features multiple ring systems with six chlorine substituents, making it lipophilic and poorly water-soluble. Its high molecular weight of 380.9 g/mol and complex stereochemistry result in specific physical characteristics typical of heavily chlorinated organic compounds, including low volatility and high chemical stability.

What is (1R,2R,3R,6S,7S,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 is primarily used in specialized industrial applications requiring persistent organochlorine chemistry. Due to its complex structure and high toxicity classification, its applications are limited to specific technical processes under strict regulatory control. Professional users must possess appropriate expertise and safety infrastructure. The compound's unique pentacyclic structure and chlorination pattern make it suitable for specialized research and industrial applications where such specific chemical properties are required.

How to handle (1R,2R,3R,6S,7S,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?

Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, protective clothing, eye protection, and respiratory protection due to its Acute Tox. 2 and 3 classifications. Work must be conducted in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. Use appropriate containment measures to prevent environmental release given its aquatic toxicity classification. Only trained personnel should handle this substance following established safety protocols.

How to store (1R,2R,3R,6S,7S,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?

Correct storage requires secure, cool, dry conditions away from incompatible materials and ignition sources. Containers must be tightly sealed and properly labeled with appropriate hazard warnings including GHS06 and GHS09 pictograms. Storage areas should have adequate ventilation and spill containment measures. Access must be restricted to authorized personnel only. Regular container inspection is essential to prevent leakage, and storage must comply with local regulations for highly toxic substances.

What to do in case of contact with (1R,2R,3R,6S,7S,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 due to the substance's high acute toxicity classification. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of clean water for at least 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek emergency medical care. Always consult the safety data sheet and contact poison control centers when necessary.

How to dispose of (1R,2R,3R,6S,7S,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?

Disposal must be conducted through licensed hazardous waste disposal facilities capable of handling highly toxic organochlorine compounds. The substance cannot be disposed of in regular waste streams due to its acute toxicity and environmental hazard classifications. Incineration at high temperatures in specialized facilities is typically required. All disposal activities must comply with local, national, and EU waste regulations. Contaminated containers and materials require similar specialized disposal treatment.

How to transport (1R,2R,3R,6S,7S,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 classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating maximum danger level for toxic materials. Specialized packaging, labeling, and documentation are mandatory. Vehicles must carry appropriate emergency equipment and drivers require ADR certification. Emergency response information must accompany shipments. Transport must follow dangerous goods regulations with proper hazard identification including toxic substance markings. Only certified carriers experienced in handling highly toxic chemicals should transport this substance.

Is (1R,2R,3R,6S,7S,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 particular regulations?

This substance is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC, its high acute toxicity and environmental hazard classifications impose strict handling, storage, and disposal requirements. Users must maintain safety data sheets and implement appropriate risk management measures. National restrictions may apply, and professional users must ensure compliance with occupational health and environmental protection regulations before use.

Where to buy (1R,2R,3R,6S,7S,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 organochlorine compound. As a professional chemical distributor, OYSI ensures proper documentation, regulatory compliance, and safe handling procedures for qualified industrial customers. Due to the substance's high toxicity classification and regulatory requirements, purchases are restricted to verified professional users with appropriate safety infrastructure and expertise. Contact OYSI directly to discuss availability, technical specifications, and regulatory compliance requirements.

Services for (1R,2R,3R,6S,7S,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,2R,3R,6S,7S,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,2R,3R,6S,7S,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.