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1008-88-4

Basic Information
CAS No.: 1008-88-4
Name: 3-Phenylpyridine
Article Data: 512
Molecular Structure:
Molecular Structure of 1008-88-4 (3-Phenylpyridine)
Formula: C11H9N
Molecular Weight: 155.199
Synonyms: 3-Phenylpyridine;5-Phenylpyridine;m-Phenylpyridine;b-Phenylpyridine;
EINECS: 213-762-6
Density: 1.049 g/cm3
Melting Point: 164°C
Boiling Point: 273.499 °C at 760 mmHg
Flash Point: 119.297 °C
Appearance: Colourless oil
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
PSA: 12.89000
LogP: 2.74860
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    3-Phenylpyridine

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Specification

The 3-Phenylpyridine, with its CAS registry number 1008-88-4, has the systematic name of Pyridine, 3-phenyl-. Besides, its product categories are including Biphenyl & Diphenyl ether; Heterocyclic Compounds; Aromatics Compounds; Aromatics; C9 to C46; Heterocyclic Building Blocks; Pyridines. 

The characteristics of this chemical are as below: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.717; (4)ACD/LogD (pH 7.4): 2.803; (5)ACD/BCF (pH 5.5): 65.148; (6)ACD/BCF (pH 7.4): 79.396; (7)ACD/KOC (pH 5.5): 653.499; (8)ACD/KOC (pH 7.4): 796.417; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 48.936 cm3; (15)Molar Volume: 147.942 cm3; (16)Polarizability: 19.4×10-24 cm3; (17)Surface Tension: 41.185 dyne/cm; (18)Density: 1.049 g/cm3; (19)Flash Point: 119.297 °C; (20)Enthalpy of Vaporization: 49.125 kJ/mol; (21)Boiling Point: 273.499 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C; (23)Exact Mass: 155.073499; (24)MonoIsotopic Mass: 155.073499; (25)Topological Polar Surface Area: 12.9; (26)Heavy Atom Count: 12; (27)Complexity: 127.

Use of this chemical: 3-Phenylpyridine could react with 1-chloro-2,4-dinitro-benzene to produce 1-(2,4-dinitro-phenyl)-3-phenyl-pyridinium; chloride. This reaction could happen in the presence of the reagent of toluene.

Production method of this chemical: 3-bromo-pyridine could react with phenylmagnesium bromide to produce 3-Phenylpyridine. This reaction could happen in the presence of the reagent of dichlorobis(triphenylphosphine)nickel(II) and the solvent of tetrahydrofuran. And it needs the reaction time of 24 hours with the yield of 66%.

When you are dealing with this kind of chemical, you should be cautious. This is a kind of irritant chemical which is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CN=CC=C2
(2)InChI: InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
(3)InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N