Introduction：Basic information about CAS 5149-69-9|3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(1-BENZOFURAN-2-YL)-3-OXOPROPANENITRILE |
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| CAS Number | 5149-69-9 | Molecular Weight | 185.17900 |
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| Density | 1.253g/cm3 | Boiling Point | 365.1ºC at 760mmHg |
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| Molecular Formula | C11H7NO2 | Melting Point | 149-151ºC |
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| MSDS | / | Flash Point | 174.6ºC |
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Names
| Name | 3-(1-Benzofuran-2-yl)-3-oxopropanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.253g/cm3 |
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| Boiling Point | 365.1ºC at 760mmHg |
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| Melting Point | 149-151ºC |
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| Molecular Formula | C11H7NO2 |
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| Molecular Weight | 185.17900 |
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| Flash Point | 174.6ºC |
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| Exact Mass | 185.04800 |
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| PSA | 54.00000 |
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| LogP | 2.52918 |
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| Index of Refraction | 1.606 |
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| InChIKey | GCABLKFGYPIVFC-UHFFFAOYSA-N |
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| SMILES | N#CCC(=O)c1cc2ccccc2o1 |
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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 DATAACUTE 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
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Safety Information
| Hazard Codes | Xn |
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| HS Code | 2932999099 |
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Customs
| HS Code | 2932999099 |
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| 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% |
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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 |
