Benzeneacetonitrile, a-(diphenylmethylene)-

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Names

[ CAS No. ]:
6304-33-2

[ Name ]:
Benzeneacetonitrile, a-(diphenylmethylene)-

[Synonym ]:
Triphenylacrylsaeure-nitril
MFCD00013811
Triphenylcyanoethylene
Acrylonitrile,triphenyl
Triphenyl-acrylonitril
2,3,3-Triphenylacrylonitrile
EINECS 228-610-4
Triphenyl-cyan-aethylen
Triphenylacrylonitrile

Chemical & Physical Properties

[ Density]:
1.114g/cm3

[ Boiling Point ]:
403.2ºC at 760 mmHg

[ Melting Point ]:
165-167ºC

[ Molecular Formula ]:
C21H15N

[ Molecular Weight ]:
281.35100

[ Flash Point ]:
198.9ºC

[ Exact Mass ]:
281.12000

[ PSA ]:
23.79000

[ LogP ]:
5.16928

[ Index of Refraction ]:
1.63

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AT7100000
CHEMICAL NAME :
Acrylonitrile, 2,3,3-triphenyl-
CAS REGISTRY NUMBER :
6304-33-2
BEILSTEIN REFERENCE NO. :
1980289
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H15-N
MOLECULAR WEIGHT :
281.37
WISWESSER LINE NOTATION :
NCYR&UYR&R

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#04868 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
94 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - lymphoma, including Hodgkin's disease
REFERENCE :
MMJJAI Mie Medical Journal. (Mie Univ. of Medicine, Tsu 514, Japan) V.3- 1952- Volume(issue)/page/year: 11,95,1961

Safety Information

[ Risk Phrases ]:
R20/22;R36/37/38

[ Safety Phrases ]:
S22-S36/37/39

[ RIDADR ]:
UN 3276

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzophenone
  • Benzyl cyanide
  • Bromotriphenylethene
  • triphenyl-oxiranecarboxylic acid amide
  • α,β,β-Triphenylmilchsaeureamid
  • Benzenepropanenitrile, a,b-diphenyl-
  • benzylcyanide, sodium salt
  • Benzamide,N-(diphenylmethylene)-
  • Benzoyl cyanide
  • 2-nitro-2,3,3-triphenyl-propionitrile

DownStream

  • Benzenepropanenitrile, a-butyl-a,b-diphenyl-
  • 2,3,3-triphenylprop-2-enoic acid
  • Benzenepropanenitrile, a,b-diphenyl-

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • Benzeneacetonitrile, a-[(2-hydroxyphenyl)methylene]-4-nitro-
  • Benzeneacetonitrile, a-[[4-(dimethylamino)phenyl]methylene]-
  • Benzeneacetonitrile, a-[(4-chlorophenyl)methylene]-
  • Benzeneacetonitrile, a-cyclohexyl-a-propyl-
  • Benzeneacetonitrile, a-1-cyclohexen-1-yl-a-propyl-
  • Benzeneacetonitrile, a-[4-[(benzoyloxy)imino]-2,5-cyclohexadien-1-ylidene]-
  • N~2~-[4-(1,3-benzothiazol-2-ylamino)-4-oxobutyl]-4,7-dimethoxy-1H-indole-2-carboxamide
  • 3-(4-chlorophenyl)-9-(furan-2-ylmethyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one
  • 3-(4-methoxyphenoxy)-9-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]oxazin-4-one
  • N-(1,3-benzothiazol-2-yl)-6-chloroimidazo[1,2-a]pyridine-2-carboxamide
  • 4,7-dimethoxy-1-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-indole-2-carboxamide
  • (2R)-2-[(diphenylacetyl)amino]-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)ethanamide
  • N~2~-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]-1H-indole-2-carboxamide
  • (Z)-8-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethylene)-8,9-dihydro-2H-benzofuro[7,6-e][1,3]oxazin-3(7H)-one
  • N-(benzo[d][1,3]dioxol-5-yl)-7-methoxybenzofuran-2-carboxamide
  • 1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxylic acid
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