3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE

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Names

[ Name ]:
3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE

[Synonym ]:
2-(benzofuran-2-carbonyl)acetonitrile
2-Cyanoacetylcoumarone
benzofuran-2-oylacetonitrile
3-benzofuran-2-yl-3-oxopropanenitrile
b-oxo-2-benzo[b]furanpropanenitrile
3-Benzofuran-2-yl-3-oxo-propionitril
3-benzofuran-2-yl-3-oxo-propionitrile
BENZOFURAN,2-CYANOACETYL
2-Benzo-furanacetonitrile
USAF KF-4

Chemical & Physical Properties

[ Density]:
1.253g/cm3

[ Boiling Point ]:
365.1ºC at 760mmHg

[ Melting Point ]:
149-151ºC

[ Molecular Formula ]:
C₁₁H₇NO₂

[ Molecular Weight ]:
185.17900

[ Flash Point ]:
174.6ºC

[ Exact Mass ]:
185.04800

[ PSA ]:
54.00000

[ LogP ]:
2.52918

[ Index of Refraction ]:
1.606

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF6550000

CHEMICAL NAME :: Benzofuran, 2-cyanoacetyl-

CAS REGISTRY NUMBER :: 5149-69-9

BEILSTEIN REFERENCE NO. :: 0146419

LAST UPDATED :: 199707

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C11-H7-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >20 mL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

Safety Information

[ Hazard Codes ]:
Xn

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Benzofurancarboxylicacid, methyl ester
Acetonitrile
1-(1-benzofuran-2-yl)-2-bromoethan-1-one
2-Acetylbenzofuran

DownStream

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

1-[3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-yl]-4-methylpiperazine
2-[[3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-yl]amino]ethanol
2-[3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]benzoic acid
Ethyl 3-(benzo[b]furan-2-yl)-3-oxopropanoate
3-(1-benzofuran-2-yl)-5-ethoxy-3,4-dihydro-2H-pyrrole
3-(1-BENZOFURAN-2-YL)PROPANOIC ACID
2-Amino-5-(difluoromethyl)-3-fluoroisonicotinic acid
3-Bromo-5-chloro-6-(difluoromethyl)pyridin-2-amine
(2,6-Dibromo-4-(difluoromethoxy)phenyl)methanamine
6-(Difluoromethyl)naphthalen-2-amine
2-Cyano-3-(difluoromethyl)-6-hydroxypyridine-4-sulfonamide
2,6-Dichloro-3-(difluoromethyl)-5-nitropyridine
2-Hydroxy-4,6-diiodobenzonitrile
3,5-Dichloro-4-(difluoromethyl)pyridin-2-amine
6-Amino-5-(difluoromethyl)-4-nitronicotinic acid
6-Cyano-5-(difluoromethyl)-4-nitropyridine-3-sulfonamide

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