2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride
C7H7ClF3NS
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Identification
- CAS Number
- 4274-38-8
- EC Number
- 429-560-8
- UN Number
- 3261
- Index Number
- 612-221-00-5
- PubChem CID
- 2734678
Physical-chemical properties
- Molecular Formula
- C7H7ClF3NS
- Molar Mass
- 229.65 g/mol
- IUPAC Name
- 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride
Chemical Identifiers
- InChI
- InChI=1S/C7H6F3NS.ClH/c8-7(9,10)4-1-2-6(12)5(11)3-4;/h1-3,12H,11H2;1H
- InChI Key
- FIAGYDIJZOWVAB-UHFFFAOYSA-N
Overview
2-amino-4-(trifluoromethyl)benzenethiol hydrochloride (CAS 4274-38-8) is an aromatic thiol derivative featuring both amino functionality and trifluoromethyl substitution for enhanced chemical reactivity. This specialized organo-sulfur compound represents a valuable synthetic intermediate in pharmaceutical and fine chemical manufacturing. With its molecular formula C7H7ClF3NS and molecular weight of 229.65 g/mol, the substance combines the nucleophilic properties of an aromatic amine with the distinctive characteristics of a thiol group, while the trifluoromethyl substituent imparts unique electronic properties and metabolic stability. The hydrochloride salt form enhances solubility and handling characteristics compared to the free base. The compound exhibits significant safety considerations, classified under multiple acute toxicity categories and requiring careful handling protocols. It demonstrates skin corrosive properties (Skin Corr. 1B) and skin sensitization potential, necessitating appropriate personal protective equipment and engineering controls. The STOT RE 2 classification indicates potential for repeated exposure toxicity, while environmental hazard classifications require controlled disposal methods. The ADR Class 8 designation confirms its corrosive transport requirements. Primary industrial applications include pharmaceutical intermediate synthesis, particularly in the development of compounds requiring trifluoromethyl-substituted aromatics, agrochemical manufacturing, and specialty polymer production. The compound's structural features make it valuable for creating biologically active molecules where both the amino and thiol functionalities contribute to target binding or reactivity. Unlike simpler amine compounds such as (Z)-octadec-9-en-1-amine, this material offers dual reactive sites with enhanced lipophilicity from the trifluoromethyl group. OYSI maintains reliable supply chains for this technical-grade chemical intermediate, supporting European manufacturers with consistent quality and regulatory compliance documentation for industrial applications.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; Acute Tox. 4 *; STOT RE 2 *; Skin Corr. 1B; Skin Sens. 1; Aquatic...
GHS Pictograms
Exclamation Mark
GHS07
Harmful. May cause irritation, allergic reactions, or drowsiness.
Health Hazard
GHS08
Serious health hazard. May cause cancer, organ damage, or genetic defects.
Corrosion
GHS05
Corrosive. Causes severe skin burns and eye damage.
Environment
GHS09
Environmental hazard. Toxic to aquatic life with long lasting effects.
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
Inhalation
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
Measures if substance contacts the skin
Eye Contact
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:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
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 | 3261 |
| ADR Class | 8 |
| Packing Group | II |
| Tunnel Code | E |
| Proper Shipping Name | 2-Amino-4-(trifluormethyl)benzenthiol-hydrochlorid |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride is an organosulfur compound with the molecular formula C7H7ClF3NS and CAS number 4274-38-8. This chemical features a benzene ring substituted with an amino group, a trifluoromethyl group, and a thiol group, presented as a hydrochloride salt. With a molecular weight of 229.65 g/mol, it is classified as a hazardous substance requiring careful handling due to its corrosive and toxic properties.
What are the physicochemical properties of 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride is typically a solid compound at room temperature due to its hydrochloride salt form. The presence of the trifluoromethyl group significantly influences its chemical stability and reactivity. As a hydrochloride salt, it generally exhibits good water solubility compared to the free base form. The compound's properties are affected by the electron-withdrawing trifluoromethyl group and the presence of both amino and thiol functional groups.
What is 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride used for?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride is primarily used as an intermediate in pharmaceutical synthesis and fine chemical manufacturing. The compound serves as a building block for developing pharmaceutical compounds, particularly those requiring trifluoromethyl-substituted aromatic systems. It may also be utilized in agrochemical synthesis and specialized organic chemistry research applications where the unique combination of amino, thiol, and trifluoromethyl functionalities is required for specific molecular architectures.
How to handle 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride safely?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride requires strict safety measures due to its corrosive and toxic nature. Personnel must wear appropriate PPE including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact completely. Handle with suitable tools to minimize direct contact, and ensure emergency eyewash and shower facilities are readily accessible in the work area.
How to store 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride correctly?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from strong oxidizing agents, bases, and metals due to potential incompatibilities. Use appropriate secondary containment and ensure storage areas are equipped with spill control measures. Maintain proper inventory management and regular inspection of container integrity.
What to do in case of contact with 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride?
Immediate action is required upon contact with 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride due to its corrosive properties. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. Seek immediate medical attention for all exposure routes. Do not induce vomiting if ingested. Provide the safety data sheet to medical personnel.
How to dispose of 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride appropriately?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride must be disposed of as hazardous chemical waste through licensed waste management companies. The substance cannot be discharged to sewers, soil, or waterways due to its toxic and corrosive nature. Collect waste in appropriate containers, properly labeled with contents and hazard information. Follow local environmental regulations and waste classification codes. Incineration at authorized high-temperature facilities is typically the preferred disposal method for organosulfur compounds containing fluorinated groups.
How to transport 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride is classified as ADR Class 8 (corrosive substances), Packing Group II, indicating significant transport restrictions. Packages must comply with UN packaging specifications and bear appropriate hazard labels including GHS pictograms GHS05, GHS07, GHS08, and GHS09. Transport documents must include proper shipping names and emergency response information. Only trained personnel should handle shipments, and vehicles must carry appropriate spill control equipment and emergency contact information.
Is 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride subject to specific regulations?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification as a hazardous substance. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational health and safety regulations, environmental discharge limits, and proper hazard communication requirements. Import/export may require additional documentation, and industrial users must implement appropriate risk management measures according to regulatory guidelines.
Where to buy 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride in Europe?
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride is available through OYSI, a specialized European distributor of fine chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with proper documentation including certificates of analysis and safety data sheets. As a European-based supplier, OYSI ensures compliance with local regulations including REACH requirements. Contact OYSI directly for availability, specifications, packaging options, and delivery throughout Europe while ensuring all regulatory requirements are met.
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2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride 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.