3-(4-aminophenyl)-3-oxopropanenitrile

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Names

[ 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds

3-(4-aminophenyl)-3-(1-hydroxyethyl)piperidine-2,6-dione
3-(4-aminophenyl)-3-methylbutan-2-one
3-(4-aminophenyl)-3-ethyl-1-(2-hydroxypropyl)piperidine-2,6-dione
3-(4-aminophenyl)[3]ferrocenophane
3-(4-aminophenyl)-3-cyclohexylpiperidine-2,6-dione
3-(4-aminophenyl)-3-ethyl-1-methylpyrrolidine-2,5-dione