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771-99-3

Basic Information
CAS No.: 771-99-3
Name: 4-Phenylpiperidine
Article Data: 49
Molecular Structure:
Molecular Structure of 771-99-3 (4-Phenylpiperidine)
Formula: C11H15N
Molecular Weight: 161.247
Synonyms: NSC 89743;
EINECS: 212-243-1
Density: 0.967 g/cm3
Melting Point: 57-63 °C
Boiling Point: 259.885 °C at 760 mmHg
Flash Point: 112.97 °C
Solubility: Soluble in water.
Appearance: off-white to light brown crystalline powder
Hazard Symbols: IrritantXi,ToxicT,CorrosiveC,FlammableF
Risk Codes: 36/37/38-34-11
Safety: 26-36/37/39-45-37/39-36/37-16
Transport Information: UN 2922 8/PG 2
PSA: 12.03000
LogP: 2.48240
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Specification

The IUPAC name of 4-Phenylpiperidine is 4-phenylpiperidine. With the CAS registry number 771-99-3, it is also named as Piperidine, 4-phenyl-. The product's categories are Amines and Anilines; Piperidines, Piperidones, Piperazines; Piperidine; API intermediates; Pyridine; Building Blocks; Heterocyclic Building Blocks; Piperidines. Besides, it is off-white to light brown crystalline powder, which should be stored in closed container in a cool, dry place.

The other characteristics of this product can be summarized as: (1)EINECS: 212-243-1; (2)ACD/LogP: 2.25; (3)# of Rule of 5 Violations: 0; (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: 1; (9)H bond donors: 1; (10)Freely Rotating Bonds: 1; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 50.851 cm3; (13)Molar Volume: 166.671 cm3; (14)Surface Tension: 35.352 dyne/cm; (15)Density: 0.967 g/cm3; (16)Flash Point: 112.97 °C; (17)Melting point: 57-63 °C; (18)Water Solubility: 6260 mg/L at 25 °C; (19)Enthalpy of Vaporization: 49.755 kJ/mol; (20)Boiling Point: 259.885 °C at 760 mmHg; (21)Vapour Pressure: 0.013 mmHg at 25 °C.

Preparation of 4-Phenylpiperidine: this chemical can be prepared by 4-Phenyl-piperidine-1-carboxylic acid 2-trimethylsilanyl-ethyl ester.



This reaction needs Tetrabutylammonium fluoride. The yield is 99 %.

Uses of 4-Phenylpiperidine: it can react with Oxirane to get N-(2-Hydroxyethyl)-4-phenylpiperidine.



This reaction needs Heptane at temperature of 90 °C. The reaction time is 7 hours. The yield is 68 %.

When you are using this chemical, please be cautious about it as the following: it is highly flammable that may cause burns. Please keep away from sources of ignition. It is also irritating to eyes, respiratory system and skin.You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccc(cc1)C2CCNCC2
(2)InChI:InChI=1/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
(3)InChIKey:UTBULQCHEUWJNV-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
(5)Std. InChIKey:UTBULQCHEUWJNV-UHFFFAOYSA-N