1-(pyridin-4-yl)butan-1-one

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Names

[ 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%