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

  • 2-((5-((4-bromophenyl)sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(3-(methylthio)phenyl)acetamide
  • 2-((5-((4-bromophenyl)sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-isopropylphenyl)acetamide
  • N-Butyl-7-chloro-N-ethyl-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
  • 1-(3-{[7-Chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-YL]amino}propyl)pyrrolidin-2-one
  • 4-(3-chlorobenzyl)-2-(3-chlorophenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
  • methyl 3-(2,6-dimethylphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
  • methyl 3-(4-bromophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-8-carboxylate
  • 2-((5-((4-(tert-butyl)phenyl)sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
  • N-(2-bromophenyl)-2-({5-[(4-tert-butylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}thio)acetamide
  • N-1,3-benzodioxol-5-yl-2-({5-[(4-tert-butylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}thio)acetamide
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