1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide

C9H6Cl6O3S

CAS115-29-7
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
115-29-7
EC Number
204-079-4
UN Number
2761
Index Number
602-052-00-5
PubChem CID
3224

Physical-chemical properties

Molecular Formula
C9H6Cl6O3S
Molar Mass
406.90 g/mol
IUPAC Name
1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide

Chemical Identifiers

InChI
InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
InChI Key
RDYMFSUJUZBWLH-UHFFFAOYSA-N

Overview

1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide (CAS 115-29-7) is a highly chlorinated organosulfur compound with acute toxicity and significant environmental hazard properties. This complex tricyclic compound represents a specialized chemical intermediate characterized by its unique molecular structure containing six chlorine atoms, sulfur, and oxygen functionalities within a rigid polycyclic framework. With a molecular formula of C9H6Cl6O3S and molecular weight of 406.9 g/mol, this substance exhibits distinct chemical properties that make it valuable for specific industrial applications while requiring careful handling protocols. The compound's hazard profile classifies it as acutely toxic (Category 2 and 4) with severe aquatic toxicity, requiring GHS06 and GHS09 pictograms and the danger signal word. Its ADR Class 6.1 classification emphasizes the need for specialized transport and storage conditions. The high degree of chlorination contributes to its persistence and bioaccumulation potential, distinguishing it from less halogenated compounds in similar applications. Industrial applications typically include use as a chemical intermediate in pharmaceutical synthesis, specialized polymer production, and as a reagent in advanced organic transformations. Unlike simpler aromatic compounds such as N-methylaniline, this highly functionalized molecule serves niche applications requiring its specific structural features. The compound may also find utility in research applications where its unique tricyclic architecture provides specific reactivity patterns. Safety protocols must address both acute toxicity risks and environmental protection measures, particularly regarding aquatic systems. Proper personal protective equipment, containment systems, and waste management procedures are essential when handling this substance. OYSI maintains availability of this specialized chemical intermediate for qualified industrial customers requiring high-purity materials for technical applications.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 4 *; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H312

Harmful 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

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

Harmful

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 GroupII
Tunnel CodeD/E
Proper Shipping NameEndosulfan (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide?

1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide is a highly chlorinated organosulfur compound with the molecular formula C9H6Cl6O3S and CAS number 115-29-7. This complex tricyclic structure contains six chlorine atoms, sulfur, and oxygen functional groups. With a molecular weight of 406.9 g/mol, it represents a specialized chemical compound primarily used in industrial applications requiring specific chemical properties related to its unique molecular structure.

What are the physicochemical properties of 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide?

This compound exhibits properties typical of heavily chlorinated organic molecules, with high molecular density due to its six chlorine atoms and molecular weight of 406.9 g/mol. The presence of sulfur oxide and ether linkages in the tricyclic structure influences its chemical stability and reactivity. Its complex molecular architecture affects solubility characteristics and thermal properties. The compound's physical state, appearance, and specific solubility parameters depend on temperature and solvent systems used in applications.

What is 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide used for?

This compound serves specialized industrial applications where its unique tricyclic structure and high chlorine content provide specific chemical functionalities. Its molecular design makes it suitable for applications requiring precise chemical reactivity patterns. The combination of sulfur oxide functionality with multiple chlorine substitution creates opportunities for use in synthetic chemistry processes, specialty formulations, and industrial processes where such specific structural features are advantageous for achieving desired chemical transformations or material properties.

How to handle 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide safely?

This compound requires extreme caution due to its Acute Tox. 2 and 4 classifications with GHS06 pictogram indicating fatal or toxic effects. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Avoid skin contact, inhalation, and ingestion. Work in fume hoods when possible and ensure emergency procedures are established. Training on proper handling techniques is mandatory before use. Store safety data sheets readily accessible and ensure spill containment materials are available.

How to store 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide correctly?

Storage requires secure, temperature-controlled environments away from incompatible materials and heat sources. Keep containers tightly sealed to prevent contamination and vapor release. Store in designated chemical storage areas with appropriate ventilation and secondary containment. Due to its high toxicity classification, access should be restricted to authorized personnel only. Maintain inventory records and regular inspection schedules. Ensure storage areas comply with local regulations for toxic substances and have appropriate emergency response equipment readily available.

What to do in case of contact with 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide?

Immediate medical attention is critical due to the compound's high acute toxicity classification. For skin contact, remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical care. For eye contact, irrigate with clean water for 15 minutes while keeping eyelids open. If ingested, do not induce vomiting and contact poison control immediately. Always contact emergency medical services and provide safety data sheet information to healthcare providers.

How to dispose of 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide appropriately?

Disposal must comply with hazardous waste regulations due to its high toxicity and environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose through regular waste streams or sewage systems. Containerize waste in appropriate, labeled containers and maintain waste manifests. Follow local, national, and EU waste regulations including proper classification codes. Incineration at authorized high-temperature facilities may be required depending on regional requirements.

How to transport 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide?

Transportation follows ADR Class 6.1 (toxic substances) requirements with Packing Group II classification indicating high hazard level. Use appropriate UN specification packaging designed for toxic liquids or solids. Shipping documents must include proper shipping names, hazard classes, and emergency response information. Vehicles require appropriate placarding and drivers need hazmat certification. Ensure compliance with tunnel restrictions and routing requirements. Emergency response information and safety data sheets must accompany shipments throughout the transportation chain.

Is 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide subject to special regulations?

This compound falls under multiple regulatory frameworks including REACH registration requirements for EU markets and CLP classification obligations. While not currently listed as SVHC (Substance of Very High Concern), its high acute toxicity and aquatic toxicity classifications trigger specific regulatory obligations. Users must comply with occupational exposure limits, environmental discharge restrictions, and notification requirements. Regular regulatory monitoring is essential as classification reviews may affect future regulatory status, potentially leading to authorization requirements or use restrictions.

Where to buy 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade quality with proper documentation and regulatory compliance. As an established chemical distributor, OYSI provides technical support, safety data sheets, and regulatory guidance for industrial customers. Contact OYSI directly for availability, specifications, and compliance documentation required for your specific application. Their European network ensures reliable supply chain management while maintaining the highest safety and quality standards for this highly regulated toxic substance.

Services for 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide

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1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide 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.