2-BENZYL-3-OXO-2-PHENYLBUTYRONITRILE

Modify Date: 2025-08-24 22:03:44

2-BENZYL-3-OXO-2-PHENYLBUTYRONITRILE Structure
2-BENZYL-3-OXO-2-PHENYLBUTYRONITRILE structure
Common Name 2-BENZYL-3-OXO-2-PHENYLBUTYRONITRILE
CAS Number 73747-26-9 Molecular Weight 249.30700
Density 1.113g/cm3 Boiling Point 352.7ºC at 760 mmHg
Molecular Formula C17H15NO Melting Point N/A
MSDS N/A Flash Point 167.1ºC

 Names

Name 2-Benzyl-3-oxo-2-phenylbutanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.113g/cm3
Boiling Point 352.7ºC at 760 mmHg
Molecular Formula C17H15NO
Molecular Weight 249.30700
Flash Point 167.1ºC
Exact Mass 249.11500
PSA 40.86000
LogP 3.27968
Index of Refraction 1.572
InChIKey NJQKSQKWNYLCIL-UHFFFAOYSA-N
SMILES CC(=O)C(C#N)(Cc1ccccc1)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET8875000
CHEMICAL NAME :
Butyronitrile, 2-benzyl-3-oxo-2-phenyl-
CAS REGISTRY NUMBER :
73747-26-9
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H15-N-O
MOLECULAR WEIGHT :
249.33
WISWESSER LINE NOTATION :
NCXR&V1&1R

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#04753

 Synonyms

2-Benzyl-3-oxo-2-phenylbutyronitrile
BUTYRONITRILE,2-BENZYL-3-OXO-2-PHENYL
Propionitrile,2-acetyl-2,3-diphenyl
2-Acetyl-2,3-diphenylpropionitrile
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