Introduction：Basic information about CAS 15119-34-3|Coumarin-3-carbonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Coumarin-3-carbonitrile |
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| CAS Number | 15119-34-3 | Molecular Weight | 171.15200 |
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| Density | 1.34 g/cm3 | Boiling Point | 350.7ºC at 760 mmHg |
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| Molecular Formula | C10H5NO2 | Melting Point | 184-188 °C(lit.) |
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| MSDS | / | Flash Point | 167.2ºC |
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Names
| Name | 3-Cyanocoumarin |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.34 g/cm3 |
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| Boiling Point | 350.7ºC at 760 mmHg |
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| Melting Point | 184-188 °C(lit.) |
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| Molecular Formula | C10H5NO2 |
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| Molecular Weight | 171.15200 |
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| Flash Point | 167.2ºC |
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| Exact Mass | 171.03200 |
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| PSA | 54.00000 |
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| LogP | 1.66468 |
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| Vapour Pressure | 4.32E-05mmHg at 25°C |
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| Index of Refraction | 1.621 |
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| InChIKey | QKJALQPLNMEDAV-UHFFFAOYSA-N |
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| SMILES | N#Cc1cc2ccccc2oc1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DJ2218100
- CHEMICAL NAME :
- 2H-1-Benzopyran-3-carbonitrile, 2-oxo-
- CAS REGISTRY NUMBER :
- 15119-34-3
- BEILSTEIN REFERENCE NO. :
- 0142122
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H5-N-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 41,391,1983
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Safety Information
| WGK Germany | 3 |
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| RTECS | DJ2218100 |
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Synonyms
| Coumarin-3-carbonitrile |
| MFCD00115699 |
| 3-CYANOCOUMARIN |
| 2-oxochromene-3-carbonitrile |
