130560-97-3

Basic information

• Product Name: 3-CHLORO-4-FLUOROTHIOBENZAMIDE
• Synonyms: 3-CHLORO-4-FLUOROBENZENECARBOTHIOAMIDE;3-CHLORO-4-FLUOROBENZENE-1-CARBOTHIOAMIDE;3-CHLORO-4-FLUOROTHIOBENZAMIDE;BUTTPARK 148\07-21;Benzenecarbothioamide, 3-chloro-4-fluoro- (9CI);Chloro-4-fluorothiobenzamide
• CAS NO: 130560-97-3
• Molecular Formula: C₇H₅ClFNS
• Molecular Weight: 189.64
• EINECS: -0
• Product Categories: THIOAMIDE
• Mol File: 130560-97-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 129 °C
• Boiling Point: 285.5 °C at 760 mmHg
• Flash Point: 126.5 °C
• Appearance: /
• Density: 1.434g/cm³
• Vapor Pressure: 0.00279mmHg at 25°C
• Refractive Index: 1.635
• BRN: 7757675
• CAS DataBase Reference: 3-CHLORO-4-FLUOROTHIOBENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-4-FLUOROTHIOBENZAMIDE(130560-97-3)
• EPA Substance Registry System: 3-CHLORO-4-FLUOROTHIOBENZAMIDE(130560-97-3)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: 2811
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 130560-97-3(Hazardous Substances Data)

Usage

Uses

3-Chloro-4-fluorothiobenzamide is a useful building block for organic synthesis.

InChI:InChI=1/C7H5ClFNS/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)

Upstream product

• 117482-84-5 3-chloro-4-fluorobenzonitrile 

Downstream Products

• 117482-84-5 3-chloro-4-fluorobenzonitrile 

Relevant articles and documents

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

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.