3-(4-aminophenyl)-3-oxopropanenitrile

Modify Date: 2024-01-09 08:48:08

3-(4-aminophenyl)-3-oxopropanenitrile Structure
3-(4-aminophenyl)-3-oxopropanenitrile structure
 Common Name 3-(4-aminophenyl)-3-oxopropanenitrile
CAS Number 59443-94-6 Molecular Weight 160.17300
Density 1.203g/cm3 Boiling Point 414.1ºC at 760 mmHg
Molecular Formula C9H8N2O Melting Point 157-158ºC
MSDS N/A Flash Point 204.2ºC

 Names

Name 3-(4-aminophenyl)-3-oxopropanenitrile
Synonym More Synonyms

 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

1-(4-Aminophenyl)-2-chloroethanone structure

1-(4-Aminopheny...

CAS#:2631-71-2

POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

~%

3-(4-aminophenyl)-3-oxopropanenitrile Structure

3-(4-aminopheny...

CAS#:59443-94-6

Literature: Du Pont de Nemours and Co. Patent: US2680730 , 1950 ; Full Text Show Details Eastman Kodak Co. Patent: US2538008 , 1949 ;
ethyl (4-aminobenzoyl)cyanoacetate structure

ethyl (4-aminob...

CAS#:103140-29-0

~%

3-(4-aminophenyl)-3-oxopropanenitrile Structure

3-(4-aminopheny...

CAS#:59443-94-6

Literature: Stepanow; Wul'fson Org. Poluprod. Krasit.Chem.Abstr., 1959 , # 1 p. 222,228, 229 Org. Poluprod. Krasit.Chem.Abstr., 1961 , p. 18747
5-(4-Nitrophenyl)isoxazole-3-carboxylic acid structure

5-(4-Nitropheny...

CAS#:33282-25-6

~%

3-(4-aminophenyl)-3-oxopropanenitrile Structure

3-(4-aminopheny...

CAS#:59443-94-6

Literature: Cusmano; Tiberio Gazzetta Chimica Italiana, 1950 , vol. 80, p. 299,304
4-((Ethoxycarbonyl)amino)benzoic acid structure

4-((Ethoxycarbo...

CAS#:5180-75-6

sodium salt of ethyl cyanoacetate structure

sodium salt of ...

CAS#:18852-51-2

~%

3-(4-aminophenyl)-3-oxopropanenitrile Structure

3-(4-aminopheny...

CAS#:59443-94-6

Literature: Gen. Aniline and Film Corp. Patent: US2610979 , 1949 ;

 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
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