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 an organosulfur aromatic amine compound with chlorinated aniline structure and isopropylsulfanyl functionality. This specialized chemical intermediate belongs to the family of substituted anilines, characterized by its unique combination of chlorine, sulfur, and amino functional groups on a benzene ring. The molecular structure features a chlorine atom at the 3-position and an isopropylthio group at the 2-position relative to the primary amine, creating distinct reactivity patterns that make it valuable for synthetic chemistry applications. With a molecular weight of 201.72 g/mol and formula C9H12ClNS, this compound exhibits properties typical of both aromatic amines and organosulfur compounds. The substance is classified under GHS hazard categories as Skin Irritant Category 2 and Aquatic Chronic Category 2, requiring appropriate handling precautions including personal protective equipment and environmental protection measures during storage and use. Its ADR transport classification as Class 9 (miscellaneous dangerous substances) reflects the need for specialized shipping protocols. The compound shares structural similarities with other complex organic intermediates, though it differs significantly from simpler compounds like 3,3-bis(methoxymethyl)-2,6-dimethylheptane in terms of functional group arrangement and reactivity profile. Primary industrial applications include pharmaceutical intermediate synthesis, specialty chemical manufacturing, and research applications in organic chemistry. The compound's unique substitution pattern makes it particularly useful in developing biologically active molecules and advanced materials where precise functional group positioning is critical. OYSI maintains reliable supply chains for 3-chloro-2-propan-2-ylsulfanylaniline to support European industrial customers' specialized chemical requirements.
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 organosulfur aromatic amine compound with the molecular formula C9H12ClNS and CAS number 179104-32-6. This chemical features a benzene ring substituted with an amino group, a chlorine atom, and an isopropylsulfanyl group. With a molecular weight of 201.72 g/mol, it belongs to the class of substituted anilines and contains both chlorine and sulfur functional groups, making it a versatile intermediate for various chemical syntheses.
What are the physicochemical properties of 3-chloro-2-propan-2-ylsulfanylaniline?
3-chloro-2-propan-2-ylsulfanylaniline typically appears as a solid at room temperature due to its aromatic structure and molecular weight of 201.72 g/mol. The presence of the amino group, chlorine substituent, and sulfur-containing side chain influences its polarity and solubility characteristics. Like most substituted anilines, it likely exhibits limited water solubility but better solubility in organic solvents. The compound's physical appearance, exact melting point, and specific solubility data would require analytical characterization for precise determination.
What is 3-chloro-2-propan-2-ylsulfanylaniline used for?
3-chloro-2-propan-2-ylsulfanylaniline serves primarily as a chemical intermediate in organic synthesis and pharmaceutical research. Its unique substitution pattern makes it valuable for developing active pharmaceutical ingredients, agrochemicals, and specialty chemicals. The compound's structure allows for further chemical modifications through the amino group or sulfur functionality, making it useful in medicinal chemistry for drug discovery programs. It may also find applications in the synthesis of dyes, pigments, or other fine chemicals requiring specific aromatic building blocks.
How to handle 3-chloro-2-propan-2-ylsulfanylaniline safely?
3-chloro-2-propan-2-ylsulfanylaniline requires careful handling due to its skin irritation potential (Skin Irrit. 2 classification). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing when handling this substance. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid direct skin and eye contact, and wash hands thoroughly after handling. The compound carries a Warning signal word and requires standard laboratory safety protocols for handling potentially irritating chemicals.
How to store 3-chloro-2-propan-2-ylsulfanylaniline properly?
3-chloro-2-propan-2-ylsulfanylaniline should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers properly labeled and store away from incompatible materials such as strong oxidizing agents, acids, and bases. Due to its amine functionality, avoid storage near acid chlorides or anhydrides. Maintain storage temperatures according to supplier specifications and ensure containers are made of compatible materials. Regular inspection of storage containers for damage or leakage is recommended.
What to do in case of contact with 3-chloro-2-propan-2-ylsulfanylaniline?
3-chloro-2-propan-2-ylsulfanylaniline contact requires immediate action due to its skin irritation classification. For skin contact, immediately remove contaminated clothing and wash the affected area with plenty of soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures.
How to dispose of 3-chloro-2-propan-2-ylsulfanylaniline appropriately?
3-chloro-2-propan-2-ylsulfanylaniline disposal must comply with local and national environmental regulations due to its Aquatic Chronic 2 classification. This substance cannot be disposed of in regular waste streams or poured down drains due to potential environmental impact. Contact licensed hazardous waste disposal companies for proper collection and treatment. Small laboratory quantities may require special collection procedures. Always consult local environmental authorities and follow your institution's chemical waste management protocols. Maintain documentation of disposal activities as required by regulations.
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 appropriate packaging, labeling, and documentation according to international dangerous goods regulations. Packages must bear proper shipping names, UN numbers, and hazard labels. Transportation should be conducted by carriers trained in hazardous materials handling. Ensure packages are secure, properly sealed, and accompanied by appropriate shipping papers including safety data sheets and emergency response information.
Is 3-chloro-2-propan-2-ylsulfanylaniline subject to specific regulations?
3-chloro-2-propan-2-ylsulfanylaniline is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification as an irritant substance. The compound is not identified as a Substance of Very High Concern (SVHC) under REACH. It must be classified and labeled according to GHS pictograms GHS07 and GHS09, with appropriate hazard statements for skin irritation and aquatic toxicity. Users must comply with occupational safety regulations and environmental protection requirements in their respective jurisdictions.
Where to buy 3-chloro-2-propan-2-ylsulfanylaniline in Europe?
3-chloro-2-propan-2-ylsulfanylaniline is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to research institutions, pharmaceutical companies, and chemical manufacturers across Europe with appropriate documentation including certificates of analysis and safety data sheets. As a professional chemical distributor, OYSI ensures compliance with European regulations including REACH requirements and proper classification under CLP. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.