Introduction：Basic information about CAS 5415-07-6|3-oxo-2,3-diphenylpropanenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-oxo-2,3-diphenylpropanenitrile |
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| CAS Number | 5415-07-6 | Molecular Weight | 221.25400 |
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| Density | 1.15g/cm3 | Boiling Point | 381.1ºC at 760 mmHg |
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| Molecular Formula | C15H11NO | Melting Point | / |
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| MSDS | / | Flash Point | 184.3ºC |
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Names
| Name | 3-oxo-2,3-diphenylpropanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.15g/cm3 |
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| Boiling Point | 381.1ºC at 760 mmHg |
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| Molecular Formula | C15H11NO |
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| Molecular Weight | 221.25400 |
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| Flash Point | 184.3ºC |
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| Exact Mass | 221.08400 |
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| PSA | 40.86000 |
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| LogP | 3.17668 |
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| Index of Refraction | 1.594 |
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| InChIKey | JATZBKSNYZHCOC-UHFFFAOYSA-N |
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| SMILES | N#CC(C(=O)c1ccccc1)c1ccccc1 |
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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 DATAACUTE 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
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Safety Information
Customs
| HS Code | 2926909090 |
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| 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% |
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Synonyms
| 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 |
