112303-01-2

Basic information

• Product Name: Benzenecarbodithioic acid, 4-nitro-, phenyl ester
• CAS NO: 112303-01-2
• Molecular Formula: C13H9NO2S2
• Molecular Weight: 275.352
• Mol File: 112303-01-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzenecarbodithioic acid, 4-nitro-, phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenecarbodithioic acid, 4-nitro-, phenyl ester(112303-01-2)
• EPA Substance Registry System: Benzenecarbodithioic acid, 4-nitro-, phenyl ester(112303-01-2)

Safety Data

• Hazardous Substances Data: 112303-01-2(Hazardous Substances Data)

Upstream product

• 3128-43-6 S-phenyl 4-nitrobenzothioate 

Downstream Products

• 571178-53-5 N-(4-methylphenyl)-4-nitrothiobenzamide 
• 73702-95-1 N-(4-methoxyphenyl)-4-nitrothiobenzamide 
• 6244-77-5 4-nitro-N-phenylthiobenzamide 

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.