Benzenebutanenitrile, g-oxo-a-phenyl-

Modify Date: 2025-08-25 16:03:42

Benzenebutanenitrile, g-oxo-a-phenyl- Structure
Benzenebutanenitrile, g-oxo-a-phenyl- structure
 Common Name Benzenebutanenitrile, g-oxo-a-phenyl-
CAS Number 6268-00-4 Molecular Weight 235.28100
Density 1.126g/cm3 Boiling Point 424.7ºC at 760 mmHg
Molecular Formula C16H13NO Melting Point N/A
MSDS N/A Flash Point 210.7ºC

 Names

Name 4-oxo-2,4-diphenylbutanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.126g/cm3
Boiling Point 424.7ºC at 760 mmHg
Molecular Formula C16H13NO
Molecular Weight 235.28100
Flash Point 210.7ºC
Exact Mass 235.10000
PSA 40.86000
LogP 3.56678
Index of Refraction 1.584
InChIKey JRWUFQJVJGKCCT-UHFFFAOYSA-N
SMILES N#CC(CC(=O)c1ccccc1)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY9040892
CHEMICAL NAME :
Benzenebutanenitrile, gamma-oxo-alpha-phenyl-
CAS REGISTRY NUMBER :
6268-00-4
BEILSTEIN REFERENCE NO. :
0649013
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H13-N-O
MOLECULAR WEIGHT :
235.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,57,1954

 Synonyms

4-oxo-2,4-diphenylbutyronitrile
4-diphenylbutanenitrile
4-Oxo-2,4-diphenyl-butyronitril
3-benzoyl-2-phenylpropionitrile
EINECS 228-440-0
2,4-diphenyl-4-butyronitrilone
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