phenylthioacetonitrile

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Names

[ CAS No. ]:
5219-61-4

[ Name ]:
phenylthioacetonitrile

[Synonym ]:
2-phenylsulfanylacetonitrile
Phenylthioacetonitrile
(Phenylthio)Acetonitrile
EINECS 226-013-3
MFCD00019831

Chemical & Physical Properties

[ Density]:
1.142 g/mL at 25 °C(lit.)

[ Boiling Point ]:
146-147 °C14 mm Hg(lit.)

[ Molecular Formula ]:
C8H7NS

[ Molecular Weight ]:
149.21300

[ Flash Point ]:
146-147°C/14mm

[ Exact Mass ]:
149.03000

[ PSA ]:
49.09000

[ LogP ]:
2.30228

[ Index of Refraction ]:
n20/D 1.583(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM1900000
CHEMICAL NAME :
Acetonitrile, (phenylthio)-
CAS REGISTRY NUMBER :
5219-61-4
BEILSTEIN REFERENCE NO. :
2042078
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-N-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
470 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985

Safety Information

[ Hazard Codes ]:
Xn,T

[ Risk Phrases ]:
22

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
AM1900000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 2-Phenyl-2-phenylthioacetonitrile
  • .2-(N-methylanilino)-2-phenylthioacetonitrile
  • (3,3-Dimethylbutan-2-yl)[(oxan-4-yl)methyl]amine
  • (3,3-Dimethylbutan-2-yl)[(oxolan-2-yl)methyl]amine
  • 6-(2-Azidoethoxy)-2-chloro-3-fluorobenzaldehyde
  • N-(4-Bromo-2-pyridinyl)-1-methyl-4-piperidinecarboxamide
  • Ethyl (S)-2-(5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-hydroxyacetate
  • Ethyl (S)-2-(5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-(tert-butoxy)acetate
  • 5-(4-Bromophenyl)-4-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-6-fluoropyrimidine
  • 5-Morpholin-4-yl-2-phenylthiophene-3-carbonitrile
  • Ethyl 2-amino-2-(furan-2-yl)acetate
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