Introduction：Basic information about CAS 1701-71-9|1-(pyridin-4-yl)butan-1-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-(pyridin-4-yl)butan-1-one |
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| CAS Number | 1701-71-9 | Molecular Weight | 149.19000 |
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| Density | 1.013g/cm3 | Boiling Point | 246.9ºC at 760 mmHg |
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| Molecular Formula | C9H11NO | Melting Point | / |
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| MSDS | / | Flash Point | 109.4ºC |
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Names
| Name | 1-pyridin-4-ylbutan-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.013g/cm3 |
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| Boiling Point | 246.9ºC at 760 mmHg |
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| Molecular Formula | C9H11NO |
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| Molecular Weight | 149.19000 |
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| Flash Point | 109.4ºC |
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| Exact Mass | 149.08400 |
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| PSA | 29.96000 |
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| LogP | 2.06440 |
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| Vapour Pressure | 0.0265mmHg at 25°C |
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| Index of Refraction | 1.504 |
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| InChIKey | FHHKAXDNIISDHM-UHFFFAOYSA-N |
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| SMILES | CCCC(=O)c1ccncc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EL9850000
- CHEMICAL NAME :
- 1-Butanone, 1-(4-pyridyl)-
- CAS REGISTRY NUMBER :
- 1701-71-9
- BEILSTEIN REFERENCE NO. :
- 0117155
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H11-N-O
- MOLECULAR WEIGHT :
- 149.21
- WISWESSER LINE NOTATION :
- T6NJ DV3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 270 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
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
| Propyl 4-pyridyl ketone |
| Ketone,propyl 4-pyridyl |
| 4-butyrylpyridine |
| n-propyl 4-pyridyl ketone |
| Pyridine,4-butyryl |
| 4-butanoylpyridine |
| 1-pyridin-4-yl-butan-1-one |
