CAS No.3888-65-1,4-(4-FLUORO-PHENYL)-PIPERIDIN-4-OL HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3888-65-1
Name:	4-(4-FLUORO-PHENYL)-PIPERIDIN-4-OL HYDROCHLORIDE
Article Data:	12

Formula:	C₁₁H₁₄FNO
Molecular Weight:	195.237
Synonyms:	4-Piperidinol,4-(p-fluorophenyl)- (6CI,8CI);4-(4-Fluorophenyl)-4-hydroxypiperidine;4-(4-Fluorophenyl)-4-piperidinol;4-(p-Fluorophenyl)-4-piperidinol;4-Hydroxy-4-(4-fluorophenyl)piperidine;NSC 90449;
EINECS:	223-431-8
Density:	1.173 g/cm³
Melting Point:	116.4-117.6℃
Boiling Point:	313.4 °C at 760 mmHg
Flash Point:	143.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	32.26000
LogP:	1.72550

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Specification

The 4-Piperidinol,4-(4-fluorophenyl)- is an organic compound with the formula C₁₁H₁₄FNO. The IUPAC name of this chemical is 4-(4-fluorophenyl)piperidin-4-ol. With the CAS registry number 3888-65-1, it is also named as 4-(4-Fluorophenyl)-4-hydroxypiperidine.

Physical properties about 4-Piperidinol,4-(4-fluorophenyl)- are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): -1.85; (3)ACD/LogD (pH 7.4): -1.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å²; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 52.34 cm³; (14)Molar Volume: 166.2 cm³; (15)Polarizability: 20.74×10^-24cm³; (16)Surface Tension: 42.5 dyne/cm; (17)Density: 1.173 g/cm³; (18)Flash Point: 143.3 °C; (19)Enthalpy of Vaporization: 58.54 kJ/mol; (20)Boiling Point: 313.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000212 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-(4-fluoro-phenyl)-4-hydroxy-piperidine-1-carboxylic acid ethyl ester. This reaction will need reagent KOH and solvent ethanol. The reaction time is 2 hours. The yield is about 87%.

Uses of 4-Piperidinol,4-(4-fluorophenyl)-: it can be used to produce 4,4-bis-(4-fluoro-phenyl)-piperidine; hydrochloride at temperature of 20 °C. This reaction is a kind of Friedel-Crafts reaction. It will need reagent AlCl₃ with reaction time of 3 days. The yield is about 69%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C2(O)CCNCC2
(2)InChI: InChI=1/C11H14FNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
(3)InChIKey: QXWRXWPNHLIZBV-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
(5)Std. InChIKey: QXWRXWPNHLIZBV-UHFFFAOYSA-N