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

Modify Date: 2025-08-25 09:30:20

3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE structure	Common Name	3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE
	CAS Number	5149-69-9	Molecular Weight	185.17900
	Density	1.253g/cm3	Boiling Point	365.1ºC at 760mmHg
	Molecular Formula	C₁₁H₇NO₂	Melting Point	149-151ºC
	MSDS	N/A	Flash Point	174.6ºC

Name	3-(1-Benzofuran-2-yl)-3-oxopropanenitrile
Synonym	More Synonyms

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

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

Hazard Codes	Xn
HS Code	2932999099

2-Benzofurancar...

CAS#:1646-27-1

Acetonitrile

CAS#:75-05-8

~93%

3-(1-BENZOFURAN...

CAS#:5149-69-9

Literature: Burgaz, E. Vildan; Yilmaz, Mehmet; Pekel, A. Tarik; Oektemer, Atilla Tetrahedron, 2007 , vol. 63, # 30 p. 7229 - 7239

1-(1-benzofuran...

CAS#:23489-36-3

3-(1-BENZOFURAN...

CAS#:5149-69-9

Literature: Burger; Deinet Journal of the American Chemical Society, 1945 , vol. 67, p. 566,568 Full Text Show Details Kodak Ltd. Patent: GB478942 , 1936 ;

2-Acetylbenzofuran

CAS#:1646-26-0

3-(1-BENZOFURAN...

CAS#:5149-69-9

Literature: Baraldi, Pier Giovanni Patent: US2001/47008 A1, 2001 ;

Acetonitrile

CAS#:75-05-8

3-(1-BENZOFURAN...

CAS#:5149-69-9

Literature: Yilmaz, E. Vildan Burgaz; Yilmaz, Mehmet; Oektemer, Atilla Arkivoc, 2011 , vol. 2011, # 2 p. 363 - 376

Precursor 4
CAS#:1646-27-1 2-Benzofurancar... CAS#:75-05-8 Acetonitrile CAS#:23489-36-3 1-(1-benzofuran... CAS#:1646-26-0 2-Acetylbenzofuran
DownStream 0

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%

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

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE
Price: Check
Purity: 95.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-cyanoacetylcoumarone
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Amole Biotechnology Co., Ltd.
China
Product Name: 3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE
Price: ￥Inquiry/100mg ￥Inquiry/1g ￥Inquiry/250mg
Purity: 95.0%
Delivery: Inquiry
Contact: Xiyao Wang
Email: 3623107365@qq.com

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

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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Precursor & DownStream

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