Benzyl selenocyanate

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Names

[ CAS No. ]:
4671-93-6

[ Name ]:
Benzyl selenocyanate

[Synonym ]:
Selenocyansaeure-benzylester
Benzylselenocyanat
C8H7NSe
benzylselenocyanate
phenylmethaneselenenyl cyanide
Selenocyanic acid,benzyl ester

Chemical & Physical Properties

[ Boiling Point ]:
276.7ºC at 760 mmHg

[ Molecular Formula ]:
C8H7NSe

[ Molecular Weight ]:
196.10800

[ Flash Point ]:
121.2ºC

[ Exact Mass ]:
196.97400

[ PSA ]:
23.79000

[ LogP ]:
1.63828

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VT0795000
CHEMICAL NAME :
Selenocyanic acid, benzyl ester
CAS REGISTRY NUMBER :
4671-93-6
BEILSTEIN REFERENCE NO. :
1932614
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H7-N-Se
MOLECULAR WEIGHT :
196.12

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
98500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45500 ug/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
227 nmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 232,227,1990

Synthetic Route

Precursor & DownStream

Precursor

  • Benzyl bromide
  • Potassium selenocyanate
  • Benzyl chloride
  • Dibenzyldiselane
  • Acetonitrile
  • Dibenzylselenonium-dicyanomethylid
  • benzylseleninylmethylbenzene
  • Tetracyanoethylene
  • [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetate

DownStream

  • Trimethylsilyl cyanide
  • benzyl trifluoromethyl selenide
  • Benzyl chloride
  • Dibenzyldiselane
  • Benzene,1,1'-[selenobis(methylene)]bis-
  • (4-nitrophenyl)methyl selenocyanate
  • methylselanylmethylbenzene

Related Compounds

  • Benzyl-((E)-2-nitro-1-phenyl-vinyl)-phenyl-amine
  • Benzyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
  • benzyl 2-bromocyclopropylideneacetate
  • benzyl (2S)-2-butylpiperazine-1-carboxylate,hydrochloride
  • benzyl 2-propynyl succinate
  • Benzyl [2,4'-bipiperidine]-1-carboxylate hydrochloride