1-(PYRIDIN-4-YL)HEXAN-1-ONE

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Names

[ CAS No. ]:
23389-74-4

[ Name ]:
1-(PYRIDIN-4-YL)HEXAN-1-ONE

[Synonym ]:
Pentyl 4-pyridyl ketone
4-Hexanoylpyridine
Ketone,pentyl 4-pyridyl
Pyridine,4-hexanoyl

Chemical & Physical Properties

[ Density]:
0.983g/cm3

[ Boiling Point ]:
280.8ºC at 760mmHg

[ Molecular Formula ]:
C₁₁H₁₅NO

[ Molecular Weight ]:
177.24300

[ Flash Point ]:
131.1ºC

[ Exact Mass ]:
177.11500

[ PSA ]:
29.96000

[ LogP ]:
2.84460

[ Vapour Pressure ]:
0.0037mmHg at 25°C

[ Index of Refraction ]:
1.498

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP4050000

CHEMICAL NAME :: 1-Hexanone, 1-(4-pyridyl)-

CAS REGISTRY NUMBER :: 23389-74-4

BEILSTEIN REFERENCE NO. :: 1526389

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H15-N-O

MOLECULAR WEIGHT :: 177.27

WISWESSER LINE NOTATION :: T6NJ DV5

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 :: 325 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

Synthetic Route

Click to get detail synthetic route

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%