Benzene, (propylthio)-

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Names

[ CAS No. ]:
874-79-3

[ Name ]:
Benzene, (propylthio)-

[Synonym ]:
SULFIDE,PHENYL PROPYL
propyl phenyl sulfide
phenyl n-propyl sulfide
phenyl 1-propyl sulfide
phenyl propyl sulfide
n-Propyl phenyl sulfide
phenyl propanyl sulfide

Chemical & Physical Properties

[ Density]:
0.99g/cm3

[ Boiling Point ]:
222.6ºC at 760 mmHg

[ Molecular Formula ]:
C9H12S

[ Molecular Weight ]:
152.25700

[ Flash Point ]:
87.2ºC

[ Exact Mass ]:
152.06600

[ PSA ]:
25.30000

[ LogP ]:
3.18870

[ Index of Refraction ]:
1.547

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WQ5890000
CHEMICAL NAME :
Sulfide, phenyl propyl
CAS REGISTRY NUMBER :
874-79-3
BEILSTEIN REFERENCE NO. :
1857536
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H12-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,993,1986
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 gm/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,993,1986

Safety Information

[ Risk Phrases ]:
R20/22

[ Safety Phrases ]:
S23-S36/37

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ALLYL PHENYL SULFIDE
  • Iodobenzene
  • 1-Propanethiol
  • Propyl acetate
  • Thiophenol
  • 1-Propanol
  • 1-Bromopropane
  • Diphenyl disulfide
  • but-2-enylsulfanylbenzene
  • Benzene,[(3-methyl-2-buten-1-yl)thio]-

DownStream

  • 2-Isopropylbenzenethiol
  • Benzene, (propylsulfonyl)-
  • Benzene,[(1-methylpropyl)thio]-
  • 2-propylsulfanylbenzoic acid
  • benzoic acid
  • 1-bromo-4-(propylthio)Benzene
  • 1-phenylbut-1-en-2-ylsulfanylbenzene

Related Compounds

  • Benzene,1-nitro-4-(propylthio)-
  • Benzene, 1-(2,2-difluoroethoxy)-2-(propylthio)-4-(trifluoromethyl)
  • Benzene, 1-(2,2-difluoroethoxy)-2-(propylthio)-3-(trifluoromethyl)
  • Benzene, 2-(2,2-difluoroethoxy)-1-(propylthio)-4-(trifluoromethyl)
  • benzene,1,2,3,4,5,6-hexafluorobenzene
  • Benzene,1,2-dichloro-4-[4-(3-nitrophenyl)-1,3-butadien-1-yl]-
  • 2-(2-Chloro-1-benzofuran-3-yl)ethane-1-sulfonyl chloride
  • (2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methanesulfonyl fluoride
  • 2-[2-Fluoro-3-(trifluoromethyl)phenyl]ethane-1-sulfonyl fluoride
  • 1-(4-cyanophenyl)-1H-pyrazole-5-sulfonyl chloride
  • 2-(1-ethyl-1H-imidazol-5-yl)ethane-1-sulfonyl fluoride
  • 2-(1-methyl-1H-1,2,3-triazol-5-yl)ethane-1-sulfonyl fluoride
  • 3-(5-fluoro-1H-1,3-benzodiazol-2-yl)phenyl sulfurofluoridate
  • 5-Chloro-6-{4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl}pyridine-3-carbonitrile
  • N-{[1-(4-ethoxy-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl}oxolane-3-carboxamide
  • 1-(1-Benzothiophen-4-yl)-4-[(pyridin-3-yl)methyl]piperazine
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