4274-38-8

Basic information

• Product Name: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE
• Synonyms: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE, HCL;3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE;2-MERCAPTO-5-(TRIFLUOROMETHYL)ANILINE, HCL;2-AMINO-4-(TRIFLUOROMETHYL)BENZENETHIOL HYDROCHLORIDE;2-AMINO-4-(TRIFLUOROMETHYL)THIOPHENOL, HCL;2-AMINO-4-(TRIFLUOROMETHYL)THIOPHENOL HYDROCHLORIDE;LABOTEST-BB LT00452166;AT-BTF
• CAS NO: 4274-38-8
• Molecular Formula: C₇H₆F₃NS*ClH
• Molecular Weight: 229.65
• EINECS: 429-560-8
• Product Categories: Phenol&Thiophenol&Mercaptan;Organic Building Blocks;Sulfur Compounds;Thiols/Mercaptans
• Mol File: 4274-38-8.mol

Chemical Properties

• Melting Point: 196-198 °C(lit.)
• Boiling Point: 241.5 °C at 760 mmHg
• Flash Point: 99.8 °C
• Appearance: white to light yellow crystal powder
• Density: 2.46
• Vapor Pressure: 3.35E-06mmHg at 25°C
• Sensitive: Hygroscopic
• BRN: 4273774
• CAS DataBase Reference: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE(4274-38-8)
• EPA Substance Registry System: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE(4274-38-8)

Safety Data

• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• RIDADR: UN2811
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 4274-38-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs with specific therapeutic properties.
Used in Chemical Synthesis:
In the chemical industry, 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE is used as a building block for the synthesis of complex organic molecules. Its reactivity and functional groups make it a valuable asset in creating a wide range of chemical products.
Specific Application:
3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE is used as a synthetic precursor for the production of 6-trifluoromethyl-4H-1,4-benzothiazines. This application takes advantage of the compound's ability to undergo condensation and oxidative cyclization with β-di-carbonyl compounds, leading to the formation of the desired benzothiazine derivatives. These derivatives have potential applications in various fields, including pharmaceuticals and materials science, due to their unique chemical and biological properties.

InChI:InChI=1/C9H10F3N5O.ClH/c10-9(11,12)18-6-3-1-5(2-4-6)16-8(15)17-7(13)14;/h1-4H,(H6,13,14,15,16,17);1H

Upstream product

• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 860-39-9 bis(2-nitro-4-trifluoromethylphenyl) disulfide 

Downstream Products

• 293316-23-1 (2-amino-4-trifluoromethylphenylsulfanyl)acetonitrile 
• 29308-83-6 8-trifluoromethyl-10H-dibenzo[b,f][1,4]thiazepin-11-one 
• 190328-50-8 2-(4-trifluoromethyl-2-aminophenylthio)-benzonitrile 
• 1383944-98-6 2-(2-methylsulfanylphenyl)-5-trifluoromethylbenzothiazole 
• 19406-49-6 2-amino-4-trifluoromethylthiophenol 
• 7038-40-6 6,6′-disulfanediylbis(3-(trifluoromethyl)aniline) 
• 1564084-01-0 2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydrobenzothiazole 
• 1564091-54-8 2-[4-(t-Boc-β-alanylamino)phenyl]-5-trifluoromethylbenzothiazole 
• 1564084-31-6 2-(4-nitrophenyl)-5-(trifluoromethyl)benzothiazole 
• 1564090-34-1 2-[4-(t-Boc-L-alanylamino)phenyl]-5-trifluoromethylbenzothiazole 
• 821806-22-8 (2-cyanomethanesulfonyl-5-trifluoromethyl-phenyl)-carbamic acid ethyl ester 
• 293316-25-3 N-(2-Cyanomethylsulfonyl-5-trifluoromethylphenyl)acetamide 
• 821806-25-1 (2-cyanomethylsulfanyl-5-trifluoromethylphenyl)carbamic acid ethyl ester 
• 293316-24-2 N-(2-cyanomethylsulfanyl-5-trifluoromethylphenyl)acetamide 

Relevant articles and documents

Synthesis of 6-trifluoromethyl-4h-1,4-benzothiazines as possible anticancer agents

The synthesis of 6-trifluoromethyl-4H-1,4-benzothiazines is reported by the condensation and oxidative cyclization of 2-amino-4-trifluoromethylbenzenethiol hydrochloride with β-di- carbonyl compounds. All the newly synthesized compounds have been characte

Process for preparing chloromethyl thiazoles or oxazoles, and intermediates for use therein

Chloromethyl group substituted heterocyclic compounds of the formulae STR1 wherein X is O or S; Y together with the two carbons to which Y is attached forms phenyl, pyridyl or pyrimidyl, each of which may be substituted by R; R is one of iodo or trifluoromethylthio or one or two of fluoro, chloro, bromo, (C1 -C4)alkyl, (C1 -C4)alkoxy, (C1 -C4)alkylthio, (C1 -C4)alkylsulfinyl, (C1 -C4)alkylsulfonyl or trifluoromethyl; and R1 is hydrogen or R, are prepared by reacting a bifunctional compound of the formulae STR2 with a 2-chloro-1,1,1-tri(C1 -C6)alkoxyethane. Most of the compounds of formulae I and II are novel. These compounds are intermediates of use in the preparation of compounds having pharmaceutical activity. The 2-chloro-1,1,1-tri(C1 -C6)alkoxyethanes are prepared from the corresponding tri(C1 -C6)alkoxyethanes by chlorination with N-chlorosuccinimide or with chlorine in pyridine and a chlorohydrocarbon cosolvent.