1-(pyridin-4-yl)butan-1-one
Names
[ CAS No. ]:
1701-71-9
[ Name ]:
1-(pyridin-4-yl)butan-1-one
[Synonym ]:
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
Chemical & Physical Properties
[ Density]:
1.013g/cm3
[ Boiling Point ]:
246.9ºC at 760 mmHg
[ Molecular Formula ]:
C9H11NO
[ Molecular Weight ]:
149.19000
[ Flash Point ]:
109.4ºC
[ Exact Mass ]:
149.08400
[ PSA ]:
29.96000
[ LogP ]:
2.06440
[ Vapour Pressure ]:
0.0265mmHg at 25°C
[ Index of Refraction ]:
1.504
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 DATA
ACUTE 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
Safety Information
[ HS Code ]:
2933399090
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933399090
[ 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%