3-chloro-2-propan-2-ylsulfanylaniline
C9H12ClNS
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Identification
- CAS Number
- 179104-32-6
- EC Number
- 421-700-6
- UN Number
- 3082
- Index Number
- 612-215-00-2
- PubChem CID
- 2735747
Physical-chemical properties
- Molecular Formula
- C9H12ClNS
- Molar Mass
- 201.72 g/mol
- IUPAC Name
- 3-chloro-2-propan-2-ylsulfanylaniline
Chemical Identifiers
- InChI
- InChI=1S/C9H12ClNS/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6H,11H2,1-2H3
- InChI Key
- HJYRCWDQTVQNJV-UHFFFAOYSA-N
Overview
3-chloro-2-propan-2-ylsulfanylaniline (CAS 179104-32-6) is a chlorinated aromatic amine compound with sulfur substitution and moderate environmental persistence properties. This specialized aromatic compound belongs to the substituted aniline family, characterized by its unique combination of chloro, isopropylsulfanyl, and amino functional groups on a benzene ring. With a molecular formula of C9H12ClNS and molecular weight of 201.72 g/mol, this chemical intermediate exhibits distinct reactivity patterns due to its electron-withdrawing chlorine substituent and electron-donating sulfur moiety. The compound is classified under EC number 421-700-6 and falls within ADR transport class 9, indicating its status as a miscellaneous dangerous substance requiring careful handling protocols. From a safety perspective, 3-chloro-2-propan-2-ylsulfanylaniline presents moderate hazard concerns, classified as Skin Irritant Category 2 and Aquatic Chronic Category 2 under GHS regulations. The Warning signal word and associated GHS07 and GHS09 pictograms emphasize the importance of proper personal protective equipment and environmental precautions during handling and storage. These safety characteristics are typical among chlorinated aromatic amines, which often require specialized containment measures. In industrial applications, this compound serves primarily as a chemical intermediate in pharmaceutical synthesis, agrochemical production, and specialty dye manufacturing. Its structural similarity to compounds like 3,3-bis(methoxymethyl)-2,6-dimethylheptane makes it valuable in synthetic pathways requiring controlled substitution patterns. The molecule's versatility in nucleophilic and electrophilic reactions makes it particularly useful in fine chemical synthesis where precise functional group positioning is critical. OYSI maintains reliable supply chains for this specialized chemical intermediate, ensuring consistent availability for European industrial customers requiring high-quality aromatic amine compounds.
Safety & Classification
Skin Irrit. 2; Aquatic Chronic 2
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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 3-Chlor-2-(isopropylthio)anilin |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-chloro-2-propan-2-ylsulfanylaniline?
3-chloro-2-propan-2-ylsulfanylaniline is an organic chemical compound with the molecular formula C9H12ClNS and CAS number 179104-32-6. This aromatic amine derivative features a benzene ring substituted with a chlorine atom, an amino group, and an isopropylsulfanyl group. With a molecular weight of 201.72 g/mol, it belongs to the class of substituted anilines and contains both sulfur and nitrogen functional groups, making it valuable for various chemical synthesis applications.
What are the physicochemical properties of 3-chloro-2-propan-2-ylsulfanylaniline?
3-chloro-2-propan-2-ylsulfanylaniline is a solid organic compound at room temperature with characteristic properties typical of substituted anilines. The presence of the chlorine substituent and isopropylsulfanyl group influences its polarity and solubility profile. As an aromatic amine, it likely exhibits limited water solubility but better solubility in organic solvents. The compound's stability and reactivity are influenced by the electron-withdrawing chlorine atom and the electron-donating amino group on the benzene ring.
What is 3-chloro-2-propan-2-ylsulfanylaniline used for?
3-chloro-2-propan-2-ylsulfanylaniline serves as an important intermediate in organic synthesis and pharmaceutical chemistry. This compound is primarily used in the development of active pharmaceutical ingredients, agrochemicals, and specialty chemicals. Its unique substitution pattern makes it valuable for creating complex molecular structures through various chemical transformations. The presence of both amino and sulfanyl functional groups allows for diverse chemical modifications, making it useful in research and development applications within the chemical and pharmaceutical industries.
How to handle 3-chloro-2-propan-2-ylsulfanylaniline safely?
3-chloro-2-propan-2-ylsulfanylaniline requires careful handling due to its classification as Skin Irritant Category 2. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. Ensure good personal hygiene practices and wash hands thoroughly after handling. Emergency eyewash stations and safety showers should be readily accessible. Follow all workplace safety protocols and consult the safety data sheet before use.
How to store 3-chloro-2-propan-2-ylsulfanylaniline correctly?
3-chloro-2-propan-2-ylsulfanylaniline should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent contamination and moisture absorption. Store separately from incompatible materials such as strong oxidizing agents, acids, and bases. Ensure storage areas are equipped with appropriate containment measures to prevent environmental release. Maintain proper inventory management and labeling systems. Storage temperatures should remain stable to preserve product integrity and prevent decomposition or degradation of the compound.
What to do in case of contact with 3-chloro-2-propan-2-ylsulfanylaniline?
Immediate action is required if contact occurs with 3-chloro-2-propan-2-ylsulfanylaniline due to its skin irritant properties. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for at least 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical attention if irritation persists or if large amounts were involved in the exposure.
How to dispose of 3-chloro-2-propan-2-ylsulfanylaniline appropriately?
3-chloro-2-propan-2-ylsulfanylaniline must be disposed of in accordance with local, national, and international environmental regulations due to its Aquatic Chronic 2 classification. Never dispose of this chemical down drains or into the environment. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small laboratory quantities may require incineration at high temperatures in specialized facilities. Containers should be triple-rinsed and handled as hazardous waste. Maintain proper documentation of disposal activities and follow all regulatory requirements for hazardous chemical waste management.
How to transport 3-chloro-2-propan-2-ylsulfanylaniline?
3-chloro-2-propan-2-ylsulfanylaniline is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Use UN-approved packaging materials and ensure proper hazard labels are affixed. Transport vehicles must comply with ADR requirements including proper segregation from incompatible materials. Shipping documentation must include proper shipping names, hazard classes, and emergency contact information. Only use carriers qualified to handle hazardous materials.
Is 3-chloro-2-propan-2-ylsulfanylaniline subject to specific regulations?
3-chloro-2-propan-2-ylsulfanylaniline is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification as Skin Irritant 2 and Aquatic Chronic 2. The compound displays GHS07 and GHS09 pictograms with 'Warning' signal word. It is not currently identified as a Substance of Very High Concern (SVHC). Users must comply with occupational exposure limits, environmental protection measures, and proper hazard communication requirements. Regular safety assessments and risk management measures may be required depending on use quantities and applications.
Where to buy 3-chloro-2-propan-2-ylsulfanylaniline in Europe?
3-chloro-2-propan-2-ylsulfanylaniline is available through OYSI, a trusted European distributor of specialty chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support throughout Europe. As a specialized chemical distributor, OYSI ensures proper handling, storage, and transportation of hazardous materials while maintaining supply chain integrity. Contact OYSI directly for availability, specifications, and technical support for your 3-chloro-2-propan-2-ylsulfanylaniline requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.