Description

2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride (CAS No. 4274-38-8) is a high-purity organic compound with the molecular formula C₇H₇ClF₃NS. This versatile reagent is widely utilized in pharmaceutical research, agrochemical development, and material science due to its unique trifluoromethyl and thiol functional groups. The compound is supplied as a hydrochloride salt, ensuring enhanced stability and solubility for various synthetic applications. With a purity of ≥97%, it is ideal for use as a building block in heterocyclic synthesis, ligand preparation, and as a precursor for fluorinated aromatic compounds. Proper storage conditions (2-8°C, inert atmosphere) are recommended to maintain product integrity.

Properties

• CAS Number: 4274-38-8
• Complexity: 159
• IUPAC Name: 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride
• 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
• Exact Mass: 228.9939826
• Molecular Formula: C7H7ClF3NS
• Molecular Weight: 229.65
• SMILES: C1=CC(=C(C=C1C(F)(F)F)N)S.Cl
• Topological: 27
• Monoisotopic Mass: 228.9939826
• Synonyms: 2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride, DTXSID9057898, DTXCID0031681, 429-560-8, 628-212-4, 4274-38-8, 3-Amino-4-mercaptobenzotrifluoride hydrochloride, 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride, 2-Amino-4-trifluoromethylthiophenol hydrochloride, 2-amino-4-(trifluoromethyl)benzene-1-thiol hydrochloride, 3-Amino-4-mercaptobenzotrifluoride, HCl, 4-trifluoromethyl-2-aminothiophenol hydrochloride, NSC277274, 2-amino-4-(trifluoromethyl)benzene-1-thiol, chloride, 3-Amino-4-mercaptobenzotrifluoride Hydrochloride; 4-Trifluoromethyl-2-aminothiophenol Hydrochloride; 2-Amino-a,a,a-trifluoro-p-toluenethiol Hydrochloride, 2-Amino-4-(trifluoromethyl)thiophenol hydrochloride, MFCD00042600, 9TLU3MX2RW, 2-AMINO-4-(TRIFLUOROMETHYL)BENZENETHIOL HCL, SCHEMBL444567, CHEMBL3184064, Tox21_113922, SBB003287, AKOS017344004, NSC-277274, PS-7728, SB80375, NCGC00262926-01, CAS-4274-38-8, 2-Amino-4-trifluoromethyl-benzenethiol HCl, DB-050965, CS-0157122, ST50307509, EN300-21684, R10023, 2-mercapto-5-trifluoromethylaniline hydrochloride, 2-amino-4-trifluoromethylbenzenethiol hydrochloride, 2-Amino-4-(trifluoromethyl)benzenethiolhydrochloride, 2-amino-4-(trifluoromethyl) benzenethiol hydrochloride, 2-amino-4-(trifluoromethyl)-benzenethiol hydrochloride, 2-mercapto-5-trifluoromethyl-phenyl-ammonium chloride, Z104509000, 2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride, 97%, Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride, Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride (1:1), p-Toluenethiol, 2-amino-alpha,alpha,alpha-trifluoro-, hydrochloride

This compound serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Researchers employ it in palladium-catalyzed coupling reactions to create complex aromatic systems. Its thiol group allows for conjugation to biomolecules or surfaces in material science applications. The trifluoromethyl moiety enhances metabolic stability in drug discovery programs.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
• H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
• H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

• Skin corrosion – category 1B
• Acute toxicity – category 4
• Acute toxicity – category 4
• Acute toxicity – category 4
• Skin sensitisation – category 1
• Hazardous to the aquatic environment – category 1
• Specific target organ toxicity – category 2

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.