3-(4-aminophenyl)-3-oxopropanenitrile

Modify Date: 2025-10-02 09:07:15

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

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

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
InChIKey	BEWGVKVWWKCFHO-UHFFFAOYSA-N
SMILES	N#CCC(=O)c1ccc(N)cc1

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

1-(4-Aminopheny...

CAS#:2631-71-2

POTASSIUM CYANIDE

CAS#:151-50-8

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-aminob...

CAS#:103140-29-0

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-Nitropheny...

CAS#:33282-25-6

3-(4-aminopheny...

CAS#:59443-94-6

Literature: Cusmano; Tiberio Gazzetta Chimica Italiana, 1950 , vol. 80, p. 299,304

4-((Ethoxycarbo...

CAS#:5180-75-6

sodium salt of ...

CAS#:18852-51-2

3-(4-aminopheny...

CAS#:59443-94-6

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

Precursor 5
CAS#:2631-71-2 1-(4-Aminopheny... CAS#:151-50-8 POTASSIUM CYANIDE CAS#:33282-25-6 5-(4-Nitropheny... CAS#:5180-75-6 4-((Ethoxycarbo...
CAS#:18852-51-2 sodium salt of ...
DownStream 0

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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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-(4-aminophenyl)-3-oxopropanenitrile
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-(4-Aminophenyl)-3-oxopropanenitrile
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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3-(4-aminophenyl)-3-oxopropanenitrile

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.