2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C9H8Cl3NO2S

CAS133-06-2
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
133-06-2
EC Number
205-087-0
UN Number
2588
Index Number
613-044-00-6
PubChem CID
8606

Physical-chemical properties

Molecular Formula
C9H8Cl3NO2S
Molar Mass
300.60 g/mol
IUPAC Name
2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Chemical Identifiers

InChI
InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
InChI Key
LDVVMCZRFWMZSG-UHFFFAOYSA-N

Overview

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 133-06-2) is an organosulfur compound with significant industrial applications and notable hazard considerations. This specialized chemical substance, with molecular formula C9H8Cl3NO2S and molecular weight of 300.6 g/mol, belongs to the family of substituted isoindole derivatives. The compound features a distinctive trichloromethylsulfanyl functional group attached to a tetrahydroisoindole-1,3-dione core structure, which contributes to its unique chemical reactivity and industrial utility. Its EC number 205-087-0 identifies it within European chemical regulations. The safety profile of this substance requires careful attention, as indicated by its comprehensive hazard classification including carcinogenic category 2, reproductive toxicity category 2, and acute toxicity category 2. The presence of GHS pictograms GHS08, GHS06, GHS05, and GHS09 signals serious health hazards, corrosivity, and environmental concerns. Its ADR class 6.1 classification reflects its toxic nature during transportation, necessitating specialized handling protocols and proper storage conditions. In industrial applications, this compound serves primarily as an intermediate in organic synthesis and specialized chemical manufacturing processes. It finds particular use in the production of specialty polymers and as a reactive component in advanced material formulations. Unlike simpler compounds such as 2-chloroacetaldehyde, this substance offers more complex reactivity patterns suitable for sophisticated chemical transformations. The compound's unique structural features make it valuable in niche applications where both the isoindole core and the trichloromethylsulfanyl group contribute to desired chemical properties. Its applications often involve controlled industrial environments where its hazardous properties can be properly managed. OYSI maintains availability of 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione for qualified industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Danger
Classification:

Carc. 2; Repr. 2; Acute Tox. 2; STOT RE 1; Eye Dam. 1; Skin Sens. 1A; Aquatic Acute 1; Aquatic Ch...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H330

Fatal if inhaled.

H372

Causes damage to organs through prolonged or repeated exposure.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

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

Irritant

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:

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 Number2588
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameCaptan (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is an organosulfur compound with the molecular formula C9H8Cl3NO2S and CAS number 133-06-2. This chemical features a tetrahydroisoindole backbone substituted with a trichloromethylsulfanyl group, giving it a molecular weight of 300.6 g/mol. It is classified as a hazardous substance with multiple danger classifications including carcinogenicity, reproductive toxicity, and acute toxicity, requiring careful handling and specialized safety measures in industrial applications.

What are the physicochemical properties of 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is a solid compound at room temperature with a molecular weight of 300.6 g/mol. The presence of three chlorine atoms and the sulfur linkage significantly influences its chemical behavior and stability. As an organochlorine compound with both hydrophobic and polar characteristics, its solubility profile varies depending on the solvent system. The compound's structure suggests limited water solubility but potential solubility in organic solvents.

What is 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione used for?

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its unique trichloromethylsulfanyl functional group makes it valuable for introducing sulfur-containing moieties into target molecules. The compound serves as a building block in organic synthesis processes, particularly in the development of specialized chemicals requiring its specific structural features. Due to its hazardous classification, its use is restricted to professional industrial applications with appropriate safety controls.

How to safely handle 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?

Safe handling of 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods due to its acute toxicity and potential carcinogenic properties. Avoid skin contact, inhalation, and ingestion completely. Use appropriate handling tools and ensure all personnel are trained in hazardous material procedures. Emergency shower and eyewash stations should be readily accessible, and work areas should be equipped with spill containment materials.

How to properly store 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?

Proper storage of 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione requires a cool, dry, well-ventilated area away from heat sources and incompatible materials. Store in original containers with secure labeling in designated hazardous chemical storage areas with appropriate containment systems. Keep away from oxidizing agents, strong bases, and reactive metals due to the presence of chlorine atoms. Implement access controls to prevent unauthorized handling, maintain inventory records, and ensure regular inspection of container integrity. Temperature control and moisture protection are essential for maintaining chemical stability.

What to do in case of contact with 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?

Immediate action is required for any contact with 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione due to its high toxicity classification. For skin contact, remove contaminated clothing and flush affected area with copious amounts of water for at least 15 minutes. In case of eye contact, rinse immediately with water and seek medical attention. If inhaled, move to fresh air and provide respiratory support if needed. For ingestion, do not induce vomiting and seek immediate medical care. Always contact emergency medical services and provide the safety data sheet to healthcare providers.

How to properly dispose of 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?

Disposal of 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione must comply with local and European waste regulations as it is classified as hazardous waste. The compound requires specialized treatment through licensed hazardous waste contractors capable of handling toxic and potentially carcinogenic materials. Incineration at high temperatures in approved facilities is typically the preferred disposal method. Never dispose of through regular waste streams, sewers, or soil. Maintain detailed waste tracking documentation and ensure proper waste classification codes are applied according to the European Waste Catalogue.

How to transport 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?

Transportation of 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione falls under ADR Class 6.1 (Toxic substances) Packing Group III, requiring specialized dangerous goods handling procedures. Packages must bear appropriate UN identification numbers, hazard labels, and proper shipping documentation. Transport vehicles need placarding and drivers must hold ADR certification for toxic materials. Use approved packaging specifications designed for Class 6.1 substances, ensure proper segregation from incompatible materials, and maintain temperature controls during transit. Emergency response information must accompany all shipments.

Is 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione subject to specific regulations?

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is subject to multiple European regulations including REACH registration requirements and CLP classification as a Category 2 carcinogen and reproductive toxicant. While not currently listed as a Substance of Very High Concern (SVHC), its hazardous properties require compliance with occupational exposure limits and specialized handling protocols. Companies must maintain safety data sheets, conduct risk assessments, and implement appropriate risk management measures. Transport is regulated under ADR, and waste disposal must follow hazardous waste directives.

Where to buy 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione in Europe?

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is available through OYSI, a specialized European distributor of technical chemicals with expertise in hazardous materials handling. As a professional-grade chemical with significant safety requirements, it is only supplied to qualified industrial customers with appropriate handling capabilities and regulatory compliance. OYSI provides comprehensive documentation including safety data sheets, certificates of analysis, and regulatory support. Contact OYSI directly to discuss availability, packaging options, and specific requirements for your application, ensuring all safety and legal obligations are met.

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2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione 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.