p-Toluenesulfonic acid, thio-, S-octyl ester

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Names

[ CAS No. ]:
7559-53-7

[ Name ]:
p-Toluenesulfonic acid, thio-, S-octyl ester

[Synonym ]:
n-Octyl-p-toluolthiolsulfonat
4-Methylbenzene-1-thiosulfonic acid S-octyl ester
4-Methylbenzenesulfonothioic acid S-octyl ester

Chemical & Physical Properties

[ Density]:
1.084g/cm3

[ Boiling Point ]:
418.8ºC at 760 mmHg

[ Molecular Formula ]:
C15H24O2S2

[ Molecular Weight ]:
300.48000

[ Flash Point ]:
207.1ºC

[ Exact Mass ]:
300.12200

[ PSA ]:
67.82000

[ LogP ]:
5.85820

[ Index of Refraction ]:
1.527

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT7355000
CHEMICAL NAME :
p-Toluenesulfonic acid, thio-, S-octyl ester
CAS REGISTRY NUMBER :
7559-53-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H24-O2-S2
MOLECULAR WEIGHT :
300.51
WISWESSER LINE NOTATION :
8SSWR 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 :
18 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#04599

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Bromooctane
  • p-toluenethiosulfonic acid potassium salt

DownStream

Related Compounds

  • Benzenesulfonothioicacid, 4-methyl-, S-(trifluoromethyl) ester
  • 1-(4-methylphenyl)sulfonylsulfanylhexadecane
  • Benzenesulfonothioicacid, 4-methyl-, S-decyl ester
  • Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester
  • Benzenesulfonothioicacid, 4-methyl-, S-(trichloromethyl) ester
  • 2-(4-methylphenyl)sulfonylsulfanyltetradecane
  • N-(6-bromo-2-pyridinyl)-2-propanesulfonamide
  • N-(3,5-dimethoxyphenyl)-2-((7-(2-methoxyphenyl)-8-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thio)propanamide
  • N-(4-ethylphenyl)-3-(4-fluorophenyl)-5-methylisoxazole-4-carboxamide
  • tert-butyl N-[2-(aminomethyl)-1,3-dihydroxypropan-2-yl]carbamate
  • 1-(Difluoromethoxy)-4-isocyanobenzene
  • 4-(5-Amino-4-benzyl-1-isopropyl-1h-pyrazol-3-yl)benzonitrile
  • Tert-butyl 5-amino-2-methylthio-4(3-aminophenyl)-thieno[2,3-d]pyrimidine-6-carboxamide
  • 3-[4-(4-Aminobutyl)piperidin-1-yl]propane-1,2-diol
  • 4-(Cyclopentyl)-2-fluorobenzyl alcohol
  • N-cyclobutylimidazole-1-carboxamide
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