3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE
Names
[ CAS No. ]:
5149-69-9
[ 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
Precursor & DownStream
Precursor
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%