Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester

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Names

[ CAS No. ]:
28519-32-6

[ Name ]:
Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester

[Synonym ]:
p-Toluenesulfonic acid,thio-,S-hexyl ester
4-Methylbenzolthiosulfonsaeure-S-hexylester
s-hexyl 4-methylbenzenesulfonothioate
S-Hexyl p-toluenethiosulfonate
hexyl 4'-methylbenzenethiosulfonate
n-Hexyl-p-toluolthiolsulfonat

Chemical & Physical Properties

[ Density]:
1.116g/cm3

[ Boiling Point ]:
392.4ºC at 760mmHg

[ Molecular Formula ]:
C13H20O2S2

[ Molecular Weight ]:
272.42700

[ Flash Point ]:
191.1ºC

[ Exact Mass ]:
272.09000

[ PSA ]:
67.82000

[ LogP ]:
5.07800

[ Vapour Pressure ]:
5.2E-06mmHg at 25°C

[ Index of Refraction ]:
1.535

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT7352500
CHEMICAL NAME :
p-Toluenesulfonic acid, thio-, S-hexyl ester
CAS REGISTRY NUMBER :
28519-32-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H20-O2-S2
MOLECULAR WEIGHT :
272.45
WISWESSER LINE NOTATION :
6SSWR 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#04598

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Bromohexane
  • Benzenesulfonothioicacid, 4-methyl-, sodium salt (1:1)
  • p-toluenethiosulfonic acid potassium salt

DownStream

  • 2-hexylsulfanylcyclohexan-1-one
  • 6-hexylsulfanylcyclohex-2-en-1-one

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • Benzenesulfonothioicacid, 4-methyl-, S-dodecyl ester
  • Benzenesulfonothioicacid, 4-methyl-, S-(trichloromethyl) ester
  • Benzenesulfonothioicacid, 4-methyl-, S-phenyl ester
  • Benzenesulfonothioicacid, 4-methyl-, S-(trifluoromethyl) ester
  • Benzenesulfonothioicacid, 4-methyl-, S-methyl ester
  • Benzenesulfonothioicacid, 4-methyl-, S-(phenylmethyl) ester
  • 1-(4-(4-Bromophenoxy)phenyl)ethanamine
  • 5-chloro-2-(3-chlorophenyl)isothiazol-3(2H)-one
  • 1-[3-Fluoro-4-(2,2,2-trifluoroethoxy)-phenyl]-ethylamine
  • 1-(4-(4-Chlorophenoxy)phenyl)ethanamine
  • 3-methyl-N-(4-methylpentan-2-yl)aniline
  • 1-(2-Ethoxy-6-fluorophenyl)ethanamine
  • 3-Methyl-N-[1-(thiophen-2-YL)ethyl]aniline
  • N-[1-(furan-2-yl)ethyl]-3-methylaniline
  • 3-methyl-N-(3-methylbutan-2-yl)aniline
  • 1-(4-(4-Fluorophenoxy)phenyl)ethanamine
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