Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)-

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Names

[ CAS No. ]:
5342-96-1

[ Name ]:
Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)-

[Synonym ]:
Propionitrile,phenacylidynetri
Phenacylidynetripropionitrile
2,2,2-tris(2-cyanoethyl)acetophenone
Tris(cyanoethyl)acetophenone
Heptanedinitrile,4-benzoyl-4-(2-cyanoethyl)-(6CI,9CI)
4-(2-Cyan-aethyl)-4-benzoyl-heptandisaeure-dinitril
4-Benzoyl-4-(2-cyan-aethyl)-heptandinitril
4-benzoyl-4(2-cyanoethyl)heptanedinitrile

Chemical & Physical Properties

[ Density]:
1.118g/cm3

[ Boiling Point ]:
571ºC at 760 mmHg

[ Molecular Formula ]:
C17H17N3O

[ Molecular Weight ]:
279.33600

[ Flash Point ]:
299.1ºC

[ Exact Mass ]:
279.13700

[ PSA ]:
88.44000

[ LogP ]:
3.76704

[ Index of Refraction ]:
1.534

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG4280000
CHEMICAL NAME :
Propionitrile, phenacylidynetri-
CAS REGISTRY NUMBER :
5342-96-1
BEILSTEIN REFERENCE NO. :
2144045
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H17-N3-O

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 :
100 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#03282

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Acrylonitrile
  • Acetophenone
  • 1,4-Dioxane

DownStream

  • Benzenepentanenitrile, d-oxo-
  • 4-benzoylheptanedinitrile

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

  • Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-
  • 2-methoxyethyl 4-[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]azo]-3-nitrobenzoate
  • N-[[3-[4-[4-(2-Cyanoethyl)-1-piperazinyl]-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
  • sodium m-[[4-[[4-[(2-cyanoethyl)ethylamino]-o-tolyl]azo]-1-naphthyl]azo]benzenesulphonate
  • bis[[4-[[4-[(2-cyanoethyl)methylamino]phenyl]azo]-β-oxobenzyl]trimethylammonium] tetrachlorozincate(2-)
  • m-[[4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-3-methoxyphenyl]azo]benzenesulphonic acid
  • Tert-butyl (6-oxo-6-phenylhexan-2-yl)carbamate
  • 5-Methyl-2-(2-methylbut-3-yn-2-yl)pyridine
  • N,N,6-trimethyl-2-(4-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)pyrimidin-4-amine
  • N,N,4-trimethyl-6-(4-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)pyrimidin-2-amine
  • 5-Bromo-2-{3-[(5-methoxypyrimidin-2-yl)oxy]pyrrolidin-1-yl}pyrimidine
  • tert-Butyl 2'-oxo-1',2',5,6-tetrahydro-[2,4'-bipyridine]-1(4H)-carboxylate
  • 4-(2-Cyclopropylpyrimidin-4-yl)-2-(4,4-difluoropiperidine-1-carbonyl)morpholine
  • N-cyclopropyl-1-{[3-(trifluoromethyl)phenyl]methyl}piperidine-4-carboxamide
  • 6-(3-bromophenyl)-2,3,4,5-tetrahydro-3-methylPyridine
  • 1-Methyl-6-(5-methylpiperidin-2-yl)-3,4-dihydroquinolin-2(1H)-one