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 organochlorine compound with potent antimicrobial and fungicidal properties. This specialized chemical substance, characterized by its molecular formula C9H8Cl3NO2S and molecular weight of 300.6 g/mol, represents a significant compound in industrial chemistry applications. The molecule features a unique structure combining an isoindole-dione core with a trichloromethylsulfanyl functional group, which contributes to its distinctive chemical reactivity and biological activity profile. The compound exhibits substantial hazard classifications requiring careful handling protocols. With GHS pictograms including GHS08 (health hazard), GHS06 (toxic), GHS05 (corrosive), and GHS09 (environmental hazard), it presents multiple safety considerations. Classification as Carcinogenic Category 2, Reproductive Toxicity Category 2, and Acute Toxicity Category 2 necessitates stringent workplace safety measures and appropriate personal protective equipment during handling and processing. From a regulatory perspective, this substance falls under ADR Class 6.1, indicating its toxic nature for transportation purposes. The "Danger" signal word emphasizes the critical importance of proper storage, handling, and disposal procedures in compliance with European chemical regulations. Industrial applications primarily focus on specialized antimicrobial formulations and as an intermediate in organic synthesis processes. The compound's structural similarity to other halogenated compounds like 2,2-dibromo-2-cyanoacetamide positions it within a broader category of biocidal agents used in industrial preservation systems. Its unique chemical properties make it valuable in specific manufacturing processes where controlled antimicrobial activity is required. OYSI maintains technical-grade availability of this specialized compound for qualified industrial customers requiring certified chemical intermediates.

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 substance has a molecular weight of 300.6 g/mol and contains a tetrahydroisoindole ring structure with a trichloromethylsulfanyl substituent. It is classified as a hazardous substance with multiple health and environmental risks, requiring careful handling and storage protocols 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 an organic compound with molecular formula C9H8Cl3NO2S and molecular weight of 300.6 g/mol. The substance contains chlorine atoms and sulfur functionality, which typically influence its chemical reactivity and stability. Due to its complex structure with halogenated and heterocyclic components, it requires specific storage and handling conditions to maintain stability and prevent degradation or unwanted reactions.

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 used in specialized industrial and research applications where its unique chemical structure provides specific functionality. Given its complex organosulfur chemistry and reactive trichloromethyl group, it may serve as an intermediate in chemical synthesis or as a specialized reagent. Its applications are typically limited to professional use due to its significant health and safety hazards, requiring appropriate expertise and safety measures.

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

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione requires extensive safety precautions due to its classification as Acute Tox. 2, Carc. 2, and Eye Dam. 1. Essential PPE includes chemical-resistant gloves, safety goggles, respiratory protection, and protective clothing. Work must be conducted in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, inhalation, and ingestion. Handle only by trained personnel familiar with hazardous chemical procedures and emergency response protocols.

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

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione must be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from moisture and heat sources. Due to its multiple hazard classifications including carcinogenic and reproductive toxicity properties, store in designated hazardous chemical storage areas with appropriate containment measures. Ensure compliance with local regulations for hazardous substance storage and maintain proper inventory records.

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

Immediate first aid for 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione exposure includes: for skin contact, remove contaminated clothing and wash thoroughly with soap and water; for eye contact, flush immediately with water for at least 15 minutes and seek medical attention due to Eye Dam. 1 classification; for inhalation, move to fresh air immediately; for ingestion, do not induce vomiting and seek immediate medical attention. Always consult poison control and provide safety data sheet to medical personnel.

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

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione must be disposed of as hazardous waste through licensed waste management contractors. Due to its multiple hazard classifications and environmental toxicity (Aquatic Acute 1), it cannot be disposed of in regular waste streams. Disposal must comply with local, national, and EU waste regulations. Consult local environmental authorities for specific disposal requirements and ensure proper documentation of waste disposal activities for regulatory compliance.

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

2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is classified as ADR Class 6.1 (toxic substances), Packing Group III for transportation. Transport requires appropriate UN-specification packaging, proper labeling with hazard pictogrammes, and transport documentation including safety data sheets. Vehicles must comply with ADR regulations for toxic substances, and drivers require appropriate hazmat training. Ensure packages are secured, protected from damage, and transported by certified carriers familiar with hazardous chemical transport requirements.

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 comprehensive EU chemical regulations including REACH registration requirements and CLP classification as a hazardous substance. While not currently listed as an SVHC, its multiple hazard classifications (carcinogenic, reproductive toxicity, acute toxicity) trigger strict regulatory controls. Users must comply with occupational exposure limits, worker protection requirements, and environmental release restrictions. Import and use may require specific authorizations or notifications depending on quantities and applications.

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. OYSI provides this substance to qualified industrial and research customers with appropriate handling capabilities and regulatory compliance. Due to the substance's significant hazard profile, purchases typically require verification of proper storage facilities, trained personnel, and legitimate use applications. Contact OYSI directly for availability, technical specifications, and compliance documentation required for this regulated chemical substance.

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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.