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3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE, also known as 2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride, is a white to light yellow crystal powder with unique chemical properties. It is a synthetic compound that holds potential in various chemical and pharmaceutical applications due to its specific molecular structure and reactivity.

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  • 4274-38-8 Structure
  • Basic information

    1. Product Name: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE
    2. 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
    3. CAS NO:4274-38-8
    4. Molecular Formula: C7H6F3NS*ClH
    5. Molecular Weight: 229.65
    6. EINECS: 429-560-8
    7. Product Categories: Phenol&Thiophenol&Mercaptan;Organic Building Blocks;Sulfur Compounds;Thiols/Mercaptans
    8. Mol File: 4274-38-8.mol
  • Chemical Properties

    1. Melting Point: 196-198 °C(lit.)
    2. Boiling Point: 241.5 °C at 760 mmHg
    3. Flash Point: 99.8 °C
    4. Appearance: white to light yellow crystal powder
    5. Density: 2.46
    6. Vapor Pressure: 3.35E-06mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Sensitive: Hygroscopic
    11. BRN: 4273774
    12. CAS DataBase Reference: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE(CAS DataBase Reference)
    13. NIST Chemistry Reference: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE(4274-38-8)
    14. EPA Substance Registry System: 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE(4274-38-8)
  • Safety Data

    1. Hazard Codes: Xn,T
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-37/39
    4. RIDADR: UN2811
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup: III
    9. Hazardous Substances Data: 4274-38-8(Hazardous Substances Data)

4274-38-8 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.

Check Digit Verification of cas no

The CAS Registry Mumber 4274-38-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,2,7 and 4 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 4274-38:
(6*4)+(5*2)+(4*7)+(3*4)+(2*3)+(1*8)=88
88 % 10 = 8
So 4274-38-8 is a valid CAS Registry Number.
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

4274-38-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Alfa Aesar

  • (L09683)  2-Amino-4-(trifluoromethyl)thiophenol hydrochloride, 97%   

  • 4274-38-8

  • 1g

  • 281.0CNY

  • Detail
  • Alfa Aesar

  • (L09683)  2-Amino-4-(trifluoromethyl)thiophenol hydrochloride, 97%   

  • 4274-38-8

  • 5g

  • 799.0CNY

  • Detail
  • Aldrich

  • (365734)  2-Amino-4-(trifluoromethyl)benzenethiolhydrochloride  97%

  • 4274-38-8

  • 365734-5G

  • 1,006.20CNY

  • Detail
  • Aldrich

  • (365734)  2-Amino-4-(trifluoromethyl)benzenethiolhydrochloride  97%

  • 4274-38-8

  • 365734-25G

  • 3,763.89CNY

  • Detail

4274-38-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE

1.2 Other means of identification

Product number -
Other names 2-Amino-4-(trifluoromethyl)thiophenol hydrochloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4274-38-8 SDS

4274-38-8Relevant articles and documents

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

Gupta,Kumar, Rakesh

, p. 19 - 24 (1986)

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

-

, (2008/06/13)

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.

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