Introduction：Basic information about CAS 5424-19-1|Phenyl(3-pyridinyl)methanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Phenyl(3-pyridinyl)methanone |
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| CAS Number | 5424-19-1 | Molecular Weight | 183.206 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 319.2±15.0 °C at 760 mmHg |
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| Molecular Formula | C12H9NO | Melting Point | 36-40 °C(lit.) |
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| MSDS | / | Flash Point | 150.0±0.0 °C |
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Names
| Name | 3-Benzoylpyridine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 319.2±15.0 °C at 760 mmHg |
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| Melting Point | 36-40 °C(lit.) |
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| Molecular Formula | C12H9NO |
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| Molecular Weight | 183.206 |
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| Flash Point | 150.0±0.0 °C |
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| Exact Mass | 183.068420 |
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| PSA | 29.96000 |
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| LogP | 1.88 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.588 |
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| InChIKey | RYMBAPVTUHZCNF-UHFFFAOYSA-N |
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| SMILES | O=C(c1ccccc1)c1cccnc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- OB6401000
- CHEMICAL NAME :
- Ketone, phenyl 3-pyridyl
- CAS REGISTRY NUMBER :
- 5424-19-1
- BEILSTEIN REFERENCE NO. :
- 0120234
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H9-N-O
- MOLECULAR WEIGHT :
- 183.22
- WISWESSER LINE NOTATION :
- T6NJ CVR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 460 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,551,1971
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Safety Information
| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S37/39 |
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| WGK Germany | 3 |
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| RTECS | OB6401000 |
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| HS Code | 2933399090 |
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Customs
| HS Code | 2933399090 |
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| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Phenyl(3-pyridinyl)methanone |
| phenyl(pyridin-3-yl)methanone |
| EINECS 226-561-3 |
| MFCD00006394 |
| Methanone, phenyl-3-pyridinyl- |
