3-oxo-2,3-diphenylpropanenitrile
Names
[ CAS No. ]:
5415-07-6
[ Name ]:
3-oxo-2,3-diphenylpropanenitrile
[Synonym ]:
ACETONITRILE,BENZOYLPHENYL
2-cyano-2-phenylacetophenone
3-Oxo-2,3-diphenyl-propionitril
3-oxo-2,3-diphenylpropionitrile
2,2-diphenyl-3-oxopropionitrile
(1-cyano-1-phenymethyl) phenyl ketone
Benzoylphenylacetonitrile
Chemical & Physical Properties
[ Density]:
1.15g/cm3
[ Boiling Point ]:
381.1ºC at 760 mmHg
[ Molecular Formula ]:
C15H11NO
[ Molecular Weight ]:
221.25400
[ Flash Point ]:
184.3ºC
[ Exact Mass ]:
221.08400
[ PSA ]:
40.86000
[ LogP ]:
3.17668
[ Index of Refraction ]:
1.594
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AL7875000
- CHEMICAL NAME :
- Acetonitrile, benzoylphenyl-
- CAS REGISTRY NUMBER :
- 5415-07-6
- BEILSTEIN REFERENCE NO. :
- 0646139
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C15-H11-N-O
- MOLECULAR WEIGHT :
- 221.27
- WISWESSER LINE NOTATION :
- NC1R XO1R
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 125 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea
- 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: 6,51,1954
Safety Information
[ HS Code ]:
2926909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%