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 compound featuring amino and trifluoromethyl functional groups with significant industrial applications. This specialized chemical intermediate belongs to the class of substituted benzenethiols, characterized by its unique combination of functional groups that impart distinct reactivity patterns. The presence of the trifluoromethyl group (-CF3) significantly enhances the compound's electron-withdrawing properties, while the amino group provides nucleophilic reactivity sites. The hydrochloride salt form ensures improved stability and handling characteristics compared to the free base. The molecular structure of C7H7ClF3NS exhibits a molecular weight of 229.65 g/mol, making it suitable for various synthetic transformations in pharmaceutical and fine chemical manufacturing. The trifluoromethyl substitution pattern is particularly valuable in medicinal chemistry, as fluorinated compounds often demonstrate enhanced bioavailability and metabolic stability. Safety considerations are paramount when handling this material, as indicated by its classification under multiple hazard categories including acute toxicity, skin corrosion, and skin sensitization. The compound carries a "Danger" signal word and requires appropriate personal protective equipment and ventilation systems. Its ADR Class 8 designation reflects its corrosive nature, necessitating specialized storage and transport protocols. Primary industrial applications include pharmaceutical intermediate synthesis, agrochemical development, and specialty polymer manufacturing. The compound's reactivity profile makes it particularly useful in creating complex molecular architectures where both thiol and amino functionalities are required. Unlike simpler compounds such as (Z)-octadec-9-en-1-amine, this material offers multiple reactive sites for sophisticated chemical transformations. OYSI maintains reliable supply chains for this technical-grade chemical intermediate, supporting European manufacturers with consistent quality and regulatory compliance.
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 organofluorine 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, stabilized 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 a solid compound at room temperature with distinct chemical characteristics influenced by its trifluoromethyl and thiol functional groups. The presence of the hydrochloride salt form typically enhances water solubility compared to the free base. The trifluoromethyl group imparts significant electronegativity and chemical stability, while the thiol group contributes to its reactivity. Specific physical properties such as melting point and exact solubility data should be confirmed through technical specifications.
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. Its unique combination of amino, thiol, and trifluoromethyl functional groups makes it valuable for developing specialized organic compounds. The compound serves as a building block in medicinal chemistry research and may be utilized in the synthesis of biologically active molecules. Its applications are typically limited to professional laboratory and industrial settings due to its hazardous nature.
How should 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride be handled safely?
2-amino-4-(trifluoromethyl)benzenethiol hydrochloride requires strict safety protocols due to its corrosive and toxic properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work must be conducted in a well-ventilated area or under fume extraction to avoid inhalation. The compound's Skin Corr. 1B classification indicates severe skin corrosion potential, requiring immediate safety measures if contact occurs. Handle only in designated chemical work areas with appropriate emergency equipment readily available.
How should 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride be stored properly?
2-amino-4-(trifluoromethyl)benzenethiol hydrochloride should be stored in a cool, dry, well-ventilated area away from incompatible materials and heat sources. The container must be tightly sealed to prevent moisture absorption and contamination. Storage areas should be equipped with appropriate containment measures and restricted to authorized personnel only. Due to its corrosive nature and potential environmental impact, secondary containment may be required. Regular inspection of storage containers is essential to detect any signs of degradation or leakage.
What should be done 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, immediately remove contaminated clothing and flush affected areas with copious amounts of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move the person to fresh air and monitor breathing. For ingestion, do not induce vomiting and seek immediate medical care. Always consult the safety data sheet and contact emergency services when necessary.
How should 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride be disposed of appropriately?
2-amino-4-(trifluoromethyl)benzenethiol hydrochloride must be disposed of as hazardous waste through licensed waste management companies in accordance with local and EU regulations. The compound cannot be disposed of in regular waste streams due to its toxic and corrosive properties. Waste classification should consider its ADR Class 8 (corrosive) designation and potential environmental impact. Containers should be properly labeled, and disposal documentation must be maintained. Consult local environmental authorities and waste disposal specialists for specific requirements in your jurisdiction.
How should 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride be transported?
2-amino-4-(trifluoromethyl)benzenethiol hydrochloride is classified under ADR Class 8, Packing Group II for transportation, indicating it is a corrosive substance requiring specialized handling. Transportation must comply with dangerous goods regulations, using appropriate packaging that meets UN specification standards. Proper shipping documentation, hazard labels, and emergency response information must accompany shipments. Only qualified carriers experienced in hazardous materials transport should handle these shipments. Vehicle placarding and driver certification requirements must be met according to ADR regulations.
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 and CLP classification obligations within the European Union. The compound is not currently listed as a Substance of Very High Concern (SVHC), but its hazard classifications require compliance with occupational safety regulations and environmental protection measures. Import/export may require additional permits or notifications. Users must maintain safety data sheets and ensure proper risk assessments are conducted. Regular monitoring of regulatory updates is essential as classifications may change.
Where can I purchase 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride in Europe?
2-amino-4-(trifluoromethyl)benzenethiol hydrochloride is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers. OYSI provides qualified sourcing of this regulated substance with appropriate documentation and regulatory compliance support. As a hazardous chemical requiring specialized handling, procurement is typically limited to qualified industrial users and research institutions. Contact OYSI directly to discuss availability, quantities, and specific regulatory requirements for your application. Proper end-use declarations and safety qualifications may be required for purchase.
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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.