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

Modify Date: 2024-01-02 10:11:25

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

 Names

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

 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

2-Benzofurancarboxylicacid, methyl ester structure

2-Benzofurancar...

CAS#:1646-27-1
Acetonitrile structure

Acetonitrile

CAS#:75-05-8

~93%

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

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-2-yl)-2-bromoethan-1-one structure

1-(1-benzofuran...

CAS#:23489-36-3

~%

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

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 structure

2-Acetylbenzofuran

CAS#:1646-26-0

~%

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

3-(1-BENZOFURAN...

CAS#:5149-69-9
Literature: Baraldi, Pier Giovanni Patent: US2001/47008 A1, 2001 ;
Acetonitrile structure

Acetonitrile

CAS#:75-05-8

~%

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

3-(1-BENZOFURAN...

CAS#:5149-69-9
Literature: Yilmaz, E. Vildan Burgaz; Yilmaz, Mehmet; Oektemer, Atilla Arkivoc, 2011 , vol. 2011, # 2 p. 363 - 376

 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%

 Synonyms

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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