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

Modify Date: 2024-01-02 18:17:30

1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one Structure
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one structure
 Common Name 1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
CAS Number 3109-12-4 Molecular Weight 341.41900
Density 1.171g/cm3 Boiling Point 504.4ºC at 760mmHg
Molecular Formula C21H24FNO2 Melting Point N/A
MSDS N/A Flash Point 258.9ºC

 Names

Name 1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
Synonym More Synonyms

 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

Fluorobenzene structure

Fluorobenzene

CAS#:462-06-6

~%

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

1-(4-fluorophen...

CAS#:3109-12-4
Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 1, p. 281,284
4-Brom-4-phenyl-piperidin structure

4-Brom-4-phenyl...

CAS#:220525-47-3

~%

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

1-(4-fluorophen...

CAS#:3109-12-4
Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 1, p. 281,284
4-Phenyl-4-piperidinol structure

4-Phenyl-4-pipe...

CAS#:40807-61-2
4-Chloro-p-fluorobutyrophenone structure

4-Chloro-p-fluo...

CAS#:3874-54-2

~%

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

1-(4-fluorophen...

CAS#:3109-12-4
Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 1, p. 281,284

 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%

 Synonyms

Dechloro Haloperidol
UNII-QKZ09O18R6
Haloperidol impurity B
Deschlorhaloperidol
Haloperidol Impurity 1
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