2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
C10H9Cl4NO2S
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Identification
- CAS Number
- 2425-06-1
- EC Number
- 219-363-3
- UN Number
- 3077
- Index Number
- 613-046-00-7
- PubChem CID
- 17038
Physical-chemical properties
- Molecular Formula
- C10H9Cl4NO2S
- Molar Mass
- 349.10 g/mol
- IUPAC Name
- 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Chemical Identifiers
- InChI
- InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
- InChI Key
- JHRWWRDRBPCWTF-UHFFFAOYSA-N
Overview
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 2425-06-1) is an organosulfur compound with tetrachlorinated ethyl groups and potential carcinogenic properties. This specialized chemical compound, registered under EC number 219-363-3, belongs to the family of substituted isoindole derivatives with a molecular formula of C10H9Cl4NO2S and molecular weight of 349.1 g/mol. The molecule features a distinctive tetrahydroisoindole-1,3-dione core structure linked to a tetrachloroethylsulfanyl group, which contributes to its unique chemical properties and reactivity profile. The presence of multiple chlorine atoms and the sulfur-containing side chain makes this compound particularly interesting for specific industrial applications requiring halogenated organic intermediates. From a safety perspective, this substance requires careful handling due to its classification as a Category 1B carcinogen and skin sensitizer. The compound displays GHS08, GHS07, and GHS09 pictograms, indicating serious health hazards and environmental concerns. It poses acute and chronic aquatic toxicity risks, necessitating proper containment and disposal protocols. Transport classification under ADR Class 9 reflects its status as a miscellaneous dangerous substance. Industrial applications typically include use as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and as a reagent in organic transformations where chlorinated sulfur compounds are required. The compound may also serve in research applications alongside related substances such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline in comparative chemical studies. Its unique structural features make it valuable for developing specialized materials with specific performance characteristics. OYSI provides this technical-grade compound to qualified industrial customers across Europe, ensuring compliance with all relevant safety and regulatory requirements.
Safety & Classification
Carc. 1B; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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:
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Captafol (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is an organochlorine compound with CAS number 2425-06-1. This chemical substance has a molecular formula of C10H9Cl4NO2S and a molecular weight of 349.1 g/mol. It contains four chlorine atoms attached to an ethylsulfanyl group linked to a tetrahydroisoindole-1,3-dione structure, making it a complex heterocyclic compound with significant toxicological properties.
What are the physicochemical properties of 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is a solid compound at room temperature with a molecular weight of 349.1 g/mol. Due to its high chlorine content and complex aromatic structure, it likely exhibits low water solubility and high lipophilicity. The presence of four chlorine atoms and sulfur heteroatom influences its chemical stability and reactivity patterns, making it persistent in environmental conditions.
What is 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione used for?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is primarily used as a fungicide and biocide in agricultural applications. Its tetrachloroethyl group provides strong antimicrobial properties, making it effective against various fungal pathogens. The compound may also serve as an intermediate in the synthesis of other pesticide formulations or specialized chemical products requiring chlorinated organic compounds with biocidal activity.
How to handle 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione safely?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione requires strict safety measures due to its carcinogenic and sensitizing properties. Always wear chemical-resistant gloves, protective clothing, and respiratory protection when handling. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact completely. Use appropriate engineering controls and ensure emergency eyewash and shower facilities are readily available.
How to store 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione correctly?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and protected from moisture and direct sunlight. Store separately from food, feed, and drinking water. Due to its environmental hazard classification, ensure secondary containment measures are in place to prevent accidental release into the environment.
What to do in case of contact with 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Immediate action is required upon contact with 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione. For skin contact, immediately remove contaminated clothing and wash affected area with soap and plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, rinse with clean water for at least 15 minutes. Seek immediate medical attention in all cases, especially given the carcinogenic classification of this substance.
How to dispose of 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione properly?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione must be disposed of as hazardous waste through licensed waste management facilities. Due to its aquatic toxicity and carcinogenic properties, it cannot be discharged into sewers, waterways, or soil. Contact certified hazardous waste disposal companies for proper treatment, which typically involves high-temperature incineration under controlled conditions. Follow all local and national regulations for hazardous chemical waste disposal.
How to transport 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transport requires appropriate UN-specification packaging and proper labeling with Class 9 hazard labels. Vehicles must carry appropriate emergency equipment and documentation. Drivers need ADR training certification. Ensure packages are secured against movement and protected from damage during transit while following all applicable dangerous goods regulations.
Is 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione subject to specific regulations?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is subject to comprehensive chemical regulations under REACH and CLP in Europe. Its carcinogenic classification (Carc. 1B) requires strict occupational exposure controls and safety data sheet provisions. Although not currently listed as an SVHC, its hazard profile means it may face future regulatory restrictions. Companies must ensure proper registration, classification, and risk assessment under applicable chemical safety legislation.
Where to buy 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione in Europe?
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this compound to qualified industrial and research customers with appropriate handling capabilities. Due to its hazardous classification, purchases require proper documentation, safety protocols, and compliance with applicable regulations. Contact OYSI directly for availability, specifications, and regulatory requirements for your specific application.
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2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.