1-(4-methylphenyl)sulfonylsulfanylhexadecane

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Names

[ CAS No. ]:
7559-54-8

[ Name ]:
1-(4-methylphenyl)sulfonylsulfanylhexadecane

[Synonym ]:
p-Toluenesulfonic acid,thio-,S-hexadecyl ester
Hexadecyl-p-toluolthiolsulfonat
S-Hexadecyl 4-methylbenzenesulfonothioate
S-Hexadecyl p-toluenethiosulfonate

Chemical & Physical Properties

[ Density]:
1.008g/cm3

[ Boiling Point ]:
518.5ºC at 760 mmHg

[ Molecular Formula ]:
C23H40O2S2

[ Molecular Weight ]:
412.69300

[ Flash Point ]:
267.4ºC

[ Exact Mass ]:
412.24700

[ PSA ]:
67.82000

[ LogP ]:
8.97900

[ Index of Refraction ]:
1.509

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT7351900
CHEMICAL NAME :
p-Toluenesulfonic acid, thio-, S-hexadecyl ester
CAS REGISTRY NUMBER :
7559-54-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H40-O2-S2
MOLECULAR WEIGHT :
412.75
WISWESSER LINE NOTATION :
16SSWR 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 :
180 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#04605

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • p-toluenethiosulfonic acid potassium salt
  • 1-Bromohexadecane

DownStream

Related Compounds

  • 1-[[(4-methylphenyl)-[(4-methylphenyl)sulfonylmethyl]amino]methyl]pyrrolidine-2,5-dione
  • 1-[(4-methylphenyl)amino]-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-y l]sulfanyl-propan-2-ol
  • 1-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline
  • 1-(4-methylphenyl)-N-prop-2-enylmethanimine
  • 1-(4-methylphenyl)-1-nitroso-3,3-di(propan-2-yl)urea
  • 1-(4-methylphenyl)oct-2-yn-1-ol