1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one

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Names

[ CAS No. ]:
3109-12-4

[ Name ]:
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one

[Synonym ]:
Dechloro Haloperidol
UNII-QKZ09O18R6
Haloperidol impurity B
Deschlorhaloperidol
Haloperidol Impurity 1

Chemical & Physical Properties

[ Density]:
1.171g/cm3

[ Boiling Point ]:
504.4ºC at 760mmHg

[ Molecular Formula ]:
C21H24FNO2

[ Molecular Weight ]:
341.41900

[ Flash Point ]:
258.9ºC

[ Exact Mass ]:
341.17900

[ PSA ]:
40.54000

[ LogP ]:
3.71010

[ Index of Refraction ]:
1.573

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EU2760000
CHEMICAL NAME :
Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-phenylpiperidino)-
CAS REGISTRY NUMBER :
3109-12-4
BEILSTEIN REFERENCE NO. :
0316568
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H24-F-N-O2
MOLECULAR WEIGHT :
341.46
WISWESSER LINE NOTATION :
T6NTJ A3VR DF& DQ DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12459

Safety Information

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Fluorobenzene
  • 4-Phenyl-4-piperidinol
  • 4-Chloro-p-fluorobutyrophenone

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%

Related Compounds

  • 1-(2-Chloro-4-hydroxy-phenyl)hexahydropyrimidine-2,4-dione
  • 4-(4-bromo-1H-pyrazol-1-yl)-1-(prop-2-yn-1-yl)piperidine
  • 1-(6-Ethynylbenzofuran-3-yl)dihydropyrimidine-2,4(1H,3H)-dione
  • rac-methyl({[(2R,3R)-3-(3-methyl-1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl})amine dihydrochloride
  • E7449 mesylate
  • 5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole dihydrochloride
  • (3R,5S)-5-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-ol;dihydrochloride
  • (2R,3S)-2-(5-Methyl-1H-1,2,4-triazol-3-yl)oxolan-3-amine;dihydrochloride
  • rac-[(2R,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)oxolan-2-yl]methanamine dihydrochloride
  • tert-butyl (2R,4S)-4-fluoro-2-{3-[(methylamino)methyl]-1H-1,2,4-triazol-5-yl}pyrrolidine-1-carboxylate hydrochloride
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