Benzenesulfonothioicacid, 4-methyl-, S-(trichloromethyl) ester

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Names

[ CAS No. ]:
13029-18-0

[ Name ]:
Benzenesulfonothioicacid, 4-methyl-, S-(trichloromethyl) ester

[Synonym ]:
S-Trichloromethyl p-toluenethiosulfonate
p-Toluenesulfonic acid,thio-,S-trichloromethyl ester
Toluol-4-thiosulfonsaeure-S-trichlormethylester
toluene-4-thiosulfonic acid S-trichloromethyl ester
S-Trichlormethyl-p-toluolthiosulfonat
p-Toluenesulfonic acid,S-trichloromethyl ester

Chemical & Physical Properties

[ Density]:
1.562g/cm3

[ Boiling Point ]:
326.2ºC at 760mmHg

[ Molecular Formula ]:
C8H7Cl3O2S2

[ Molecular Weight ]:
305.62900

[ Flash Point ]:
151.1ºC

[ Exact Mass ]:
303.89500

[ PSA ]:
67.82000

[ LogP ]:
4.82540

[ Vapour Pressure ]:
0.000416mmHg at 25°C

[ Index of Refraction ]:
1.604

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT7358800
CHEMICAL NAME :
p-Toluenesulfonic acid, thio-, S-trichloromethyl ester
CAS REGISTRY NUMBER :
13029-18-0
BEILSTEIN REFERENCE NO. :
2381302
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-Cl3-O2-S2
MOLECULAR WEIGHT :
305.62
WISWESSER LINE NOTATION :
GXGGSSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04603

Related Compounds

  • N'-(4-ethylphenyl)-N-{[4-(morpholin-4-yl)thian-4-yl]methyl}ethanediamide
  • 3-Phenyl-6-(4-{pyrazolo[1,5-a]pyrazin-4-yl}piperazin-1-yl)pyridazine
  • 2,2-Dimethyl-4-(piperidin-2-yl)oxolan-3-one
  • 4-hydroxy-3-methyl-1-(p-tolyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
  • [(Azetidin-2-yl)methyl](methyl)propylamine
  • tert-Butyl 4-amino-7-bromoisoindoline-2-carboxylate
  • 2-Methylbutane-1-sulfinamide
  • 1-[5-(4-amino-1H-imidazol-1-yl)-2-methoxyphenyl]Ethanone
  • 1-Prop-2-ynyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
  • 3-[(4-Methylpentan-2-yl)oxy]azetidine