2-Amino-4-(trifluoromethyl)benzenethiol; hydron; chloride

Base Information

• Chemical Name: 2-Amino-4-(trifluoromethyl)benzenethiol; hydron; chloride
• CAS No.: 4274-38-8
• Molecular Formula: C7H7ClF3NS
• Molecular Weight: 229.653
• Hs Code.: 2930909090
• Mol file: 4274-38-8.mol

Synonyms:2-amino-4-(trifluoromethyl)benzenethiol; hydron; chloride;SCHEMBL23411125;AKOS015897501;A825998;2-azanyl-4-(trifluoromethyl)benzenethiol;hydron;chloride

Chemical Property of 2-Amino-4-(trifluoromethyl)benzenethiol; hydron; chloride

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 3.35E-06mmHg at 25°C
• Melting Point: 196-198 °C(lit.)
• Boiling Point: 241.5 °C at 760 mmHg
• Flash Point: 99.8 °C
• PSA: 64.82000
• Density: 2.46
• LogP: 3.95950
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 228.9939826
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T
• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [H+].C1=CC(=C(C=C1C(F)(F)F)N)S.[Cl-]
• Uses: 2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride may be used in the synthesis of 6-trifluoromethyl-4H-1,4-benzothiazines, via condensation and oxidative cyclization with β-di-carbonyl compounds.

Technology Process of 2-Amino-4-(trifluoromethyl)benzenethiol; hydron; chloride

There total 3 articles about 2-Amino-4-(trifluoromethyl)benzenethiol; hydron; chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

bis(2-nitro-4-trifluoromethylphenyl) disulfide (860-39-9) → 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride (4274-38-8)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1016/S0022-1139(00)85084-8

Reference yield:

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride (4274-38-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium polysulphide

2: tin, hydrochloric acid

With hydrogenchloride; tin; sodium polysulphide;

DOI:10.1016/S0022-1139(00)85084-8

Reference yield:

→ 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride (4274-38-8)

Guidance literature:

upstream raw materials:

bis(2-nitro-4-trifluoromethylphenyl) disulfide

2-chloro-3-nitro-5-trifluoromethylbenzene

Downstream raw materials:

5-trifluoromethyl-2-chloromethylbenzothiazole

(2-amino-4-trifluoromethylphenylsulfanyl)acetonitrile

N-(2-cyanomethylsulfanyl-5-trifluoromethylphenyl)acetamide

(2-cyanomethylsulfanyl-5-trifluoromethylphenyl)carbamic acid ethyl ester