Introduction：Basic information about CAS 59443-94-6|3-(4-aminophenyl)-3-oxopropanenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(4-aminophenyl)-3-oxopropanenitrile |
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| CAS Number | 59443-94-6 | Molecular Weight | 160.17300 |
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| Density | 1.203g/cm3 | Boiling Point | 414.1ºC at 760 mmHg |
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| Molecular Formula | C9H8N2O | Melting Point | 157-158ºC |
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| MSDS | / | Flash Point | 204.2ºC |
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Names
| Name | 3-(4-aminophenyl)-3-oxopropanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.203g/cm3 |
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| Boiling Point | 414.1ºC at 760 mmHg |
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| Melting Point | 157-158ºC |
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| Molecular Formula | C9H8N2O |
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| Molecular Weight | 160.17300 |
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| Flash Point | 204.2ºC |
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| Exact Mass | 160.06400 |
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| PSA | 66.88000 |
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| LogP | 1.94638 |
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| Index of Refraction | 1.592 |
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| InChIKey | BEWGVKVWWKCFHO-UHFFFAOYSA-N |
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| SMILES | N#CCC(=O)c1ccc(N)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DA8333500
- CHEMICAL NAME :
- Benzenepropanenitrile, 4-amino-beta-oxo-
- CAS REGISTRY NUMBER :
- 59443-94-6
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C9-H8-N2-O
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2263 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571038
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571038 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7332 mg/kg/12D-C
- TOXIC EFFECTS :
- Liver - changes in liver weight Endocrine - changes in thyroid weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571038
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Synonyms
| benzenepropanenitrile,4-amino-|A-oxo |
| (4-Aminobenzoyl)acetonitrile |
| Acetonitrile,(p-aminobenzoyl)-(6CI,7CI) |
| 2-(4-Aminobenzoyl)acetonitrile |
| 3-(4-amino-phenyl)-3-oxo-propionitrile |
| 4-Aminobenzoylacetonitril |
| p-aminobenzoylacetonitrile |
