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2-Chloro-6-fluorobenzenecarbothioamide is an organic compound with the chemical formula C7H4ClFN2S. It is a derivative of benzene, featuring a chlorine atom at the 2nd position, a fluorine atom at the 6th position, and a carbothioamide group attached to the benzene ring. 2-chloro-6-fluorobenzenecarbothioamide is characterized by its potential reactivity due to the presence of the electronegative chlorine and fluorine atoms, which can influence its chemical properties and reactivity. It is typically used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, owing to its unique combination of functional groups. The compound's structure and properties make it a valuable building block in the development of new molecules with specific therapeutic or pesticidal activities.

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  • 769-05-1 Structure
  • Basic information

    1. Product Name: 2-chloro-6-fluorobenzenecarbothioamide
    2. Synonyms: 2-Chloro-6-fluorobenzenecarbothioamide; benzenecarbothioamide, 2-chloro-6-fluoro-
    3. CAS NO:769-05-1
    4. Molecular Formula: C7H5ClFNS
    5. Molecular Weight: 189.6377
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 769-05-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 280.145°C at 760 mmHg
    3. Flash Point: 123.227°C
    4. Appearance: N/A
    5. Density: 1.435g/cm3
    6. Vapor Pressure: 0.004mmHg at 25°C
    7. Refractive Index: 1.635
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-chloro-6-fluorobenzenecarbothioamide(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-chloro-6-fluorobenzenecarbothioamide(769-05-1)
    12. EPA Substance Registry System: 2-chloro-6-fluorobenzenecarbothioamide(769-05-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 769-05-1(Hazardous Substances Data)

769-05-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 769-05-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,6 and 9 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 769-05:
(5*7)+(4*6)+(3*9)+(2*0)+(1*5)=91
91 % 10 = 1
So 769-05-1 is a valid CAS Registry Number.

769-05-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Chloro-6-fluorobenzenecarbothioamide

1.2 Other means of identification

Product number -
Other names 2-chloro-6-fluorothiobenzamide

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:769-05-1 SDS

769-05-1Relevant articles and documents

AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE

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Page/Page column 89, (2012/04/04)

Provided are compounds of Formula I, stereoisomers, tautomers, solvates, prodrugs and pharmaceutically acceptable salts thereof, wherein A, X, R1, R2, R4 and R5 are defined herein, a pharmaceutical composition that includes a compound of Formula I and a pharmaceutically acceptable carrier, adjuvant or vehicle, methods of using the compound or composition in therapy, and methods of 5 manufacturing a compound of Formula I

Development of manufacturing processes for a new family of 2,6-dihaloaryl 1,2,4-triazole insecticides

Hull Jr., John W.,Romer, Duane R.,Adaway, Timothy J.,Podhorez, David E.

supporting information; experimental part, p. 1125 - 1129 (2010/04/22)

Details are presented on the process development work for the new 2,6-dihaloaryl-1,2,4-triazole insecticide 1, and the development of a one-pot process toward a potential commercial manufacturing process.

Reactions of some ortho and para halogenated aromatic nitriles with ethylenediamine: Selective synthesis of imidazolines

Crane, Louis J.,Anastassiadou, Maria,Stigliani, Jean-Luc,Baziard-Mouysset, Geneviève,Payard, Marc

, p. 5325 - 5330 (2007/10/03)

The reaction of ethylenediamine (EDA) with ortho and/or para halogenated benzonitriles did not lead to the imidazolines expected: a competitive aromatic nucleophilic substitution (SNAr) was observed instead. The selective synthesis of these imidazolines was performed by nucleophilic addition of EDA to thiobenzamide derivatives. The difference in reactivity between the nitrile and thioamide derivatives was estimated by a frontier orbital approach at the RHF/6-31G** level which predicted a greater reactivity of substituted thiobenzamides towards the nucleophilic addition of EDA.

Process for preparing 3-(substituted phenyl)-5-thienyl or furyl)-1,2,4-triazoles and novel intermediates utilized therein

-

, (2008/06/13)

New synthetic procedures for preparing insecticidal 3-(substituted phenyl)-5-(thienyl or furyl)-1,2,4-triazoles utilizing thioimidate intermediate.

3-(substituted phenyl)-5-thienyl-1,2,4-triazole compounds with activity against whitefly

-

, (2008/06/13)

3-(Substituted phenyl)-5-(thienyl)-1,2,4-triazole compounds are useful as insecticides and acaricides.

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