95236-95-6

Basic information

• Product Name: 4-chloro-N-(4-methylphenyl)benzenecarbothioamide
• CAS NO: 95236-95-6
• Molecular Formula: C₁₄H₁₂ClNS
• Molecular Weight: 261.7698
• Mol File: 95236-95-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 369.9°C at 760 mmHg
• Flash Point: 177.5°C
• Density: 1.28g/cm³
• Vapor Pressure: 1.15E-05mmHg at 25°C
• Refractive Index: 1.686
• CAS DataBase Reference: 4-chloro-N-(4-methylphenyl)benzenecarbothioamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-chloro-N-(4-methylphenyl)benzenecarbothioamide(95236-95-6)
• EPA Substance Registry System: 4-chloro-N-(4-methylphenyl)benzenecarbothioamide(95236-95-6)

Safety Data

• Hazardous Substances Data: 95236-95-6(Hazardous Substances Data)

Upstream product

• 2447-95-2 4-chloro-N-(4-tolyl)benzamide 
• 106-49-0 p-toluidine 
• 165543-78-2 4-Chloro-dithiobenzoic acid 4-bromo-phenyl ester 
• 165543-77-1 4-Chloro-dithiobenzoic acid p-tolyl ester 
• 20849-33-6 phenyl p-chlorobenzenedithiocarboxylate 
• 39153-42-9 p-Chlor-dithiobenzoesaeure-p-chlorphenylester 

Relevant articles and documents

Kinetics and mechanism of the aminolysis of phenyl dithiobenzoates

The kinetics and mechanism of the reactions of phenyl dithiobenzoates with anilines in acetonitrile at 55.0 deg C have been studied.The large magnitude of βx(βnuc) and the signs of cross-interaction constants, ρeXY > 0, ρYZ XZ > 0, are all consistent with the carbonyl addition mechanism in which the breakdown of the tetrahedral intermediate, T+/-, is rate limiting.The thiocarbonyl group (C=S) is found to favour amine expulsion in contrast to the carbonyl group (C=O) which favours the S-bonded nucleofuge expulsion from T+/-.The signs of cross-interaction constants, ρXY, ρYZ and/or ρXZ, are shown to provide useful mechanistic criteria for distinguishing, especially, the carbonyl addition mechanism involving the rate-limiting breakdown of the tetrahedral intermediate (T+/- from the concerted SN2 mechanism.