1-octylsulfonylsulfanyloctane

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Names

[ CAS No. ]:
7651-62-9

[ Name ]:
1-octylsulfonylsulfanyloctane

[Synonym ]:
S-Octyl octanethiosulfonate
1-Octanesulfonothioic acid,S-octyl ester
Octanesulfonic acid,S-octyl ester
Octyl-octylthiolsulfonat
S-octyl octane-1-sulfonothioate
S-octyl 1-octanethiosulfonate
octyl octanethiosulphonate
OCTANESULFONIC ACID,THIO-,S-OCTYL ESTER

Chemical & Physical Properties

[ Density]:
0.984g/cm3

[ Boiling Point ]:
445.6ºC at 760 mmHg

[ Molecular Formula ]:
C16H34O2S2

[ Molecular Weight ]:
322.57000

[ Flash Point ]:
223.3ºC

[ Exact Mass ]:
322.20000

[ PSA ]:
67.82000

[ LogP ]:
6.85120

[ Index of Refraction ]:
1.479

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG9704000
CHEMICAL NAME :
Octanesulfonic acid, thio-, S-octyl ester
CAS REGISTRY NUMBER :
7651-62-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H34-O2-S2
MOLECULAR WEIGHT :
322.62
WISWESSER LINE NOTATION :
WS8&S8

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 :
56 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#04607

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Mercaptooctane
  • octane-1-sulfinyl chloride
  • Disulfide, dioctyl
  • N,N-Dimethylformamide

DownStream

  • 1-Iodooctane
  • Disulfide, dioctyl

Related Compounds

  • 1-phenyl-3H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
  • 1-[2-(2-fluorobenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium,chloride
  • 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-ethanone
  • 1,4-BenzenediaMine, N,N,N',N'-tetrakis[4-[bis(2-Methylpropyl)aMino]phenyl]-
  • 1-[2-(2-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium,chloride
  • 1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butylamino-ethanone Hydrochloride