3-(4-aminophenyl)-3-oxopropanenitrile
Names
[ CAS No. ]:
59443-94-6
[ Name ]:
3-(4-aminophenyl)-3-oxopropanenitrile
[Synonym ]:
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
Chemical & Physical Properties
[ Density]:
1.203g/cm3
[ Boiling Point ]:
414.1ºC at 760 mmHg
[ Melting Point ]:
157-158ºC
[ Molecular Formula ]:
C9H8N2O
[ Molecular Weight ]:
160.17300
[ Flash Point ]:
204.2ºC
[ Exact Mass ]:
160.06400
[ PSA ]:
66.88000
[ LogP ]:
1.94638
[ Index of Refraction ]:
1.592
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 DATA
ACUTE 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