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123792-62-1

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Basic Information
CAS No.: 123792-62-1
Name: 3-NITRO-5-PHENYLPYRIDINE
Article Data: 3
Molecular Structure:
Molecular Structure of 123792-62-1 (3-NITRO-5-PHENYLPYRIDINE)
Formula: C11H8N2O2
Molecular Weight: 200.19
Synonyms: 3-Nitro-5-phenylpyridine;
Density: 1.252 g/cm3
Boiling Point: 353.1 °C at 760 mmHg
Flash Point: 167.3 °C
PSA: 58.71000
LogP: 3.18000
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Specification

The Pyridine, 3-nitro-5-phenyl- has the CAS registry number 123792-62-1. This chemical's molecular formula is C11H8N2O2 and molecular weight is 200.19. What's more, its systematic name is 3-Nitro-5-phenylpyridine.

Physical properties about Pyridine, 3-nitro-5-phenyl- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.89; (6)ACD/BCF (pH 7.4): 32.89; (7)ACD/KOC (pH 5.5): 424.16; (8)ACD/KOC (pH 7.4): 424.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 55.48 cm3; (15)Molar Volume: 159.7 cm3; (16)Polarizability: 21.99×10-24 cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 167.3 °C; (20)Enthalpy of Vaporization: 57.44 kJ/mol; (21)Boiling Point: 353.1 °C at 760 mmHg; (22)Vapour Pressure: 7.49E-05 mmHg at 25 °C.

Uses of Pyridine, 3-nitro-5-phenyl-: it is used to produce other chemicals. For example, it is used to produce 2-Amino-3-phenyl-5-nitropyridine. This reaction needs reagents 4-Amino-1, 2, 4-triazole and t-BuOK. Meanwhile, it needs solvent Dimethylsulfoxide. The reaction time is 5 hours with reaction temperature of 20 °C. The yield is about 66 %.

Pyridine, 3-nitro-5-phenyl- can be used to produce 2-Amino-3-phenyl-5-nitropyridine.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2cncc(c1ccccc1)c2
(2) InChI: InChI=1/C11H8N2O2/c14-13(15)11-6-10(7-12-8-11)9-4-2-1-3-5-9/h1-8H
(3) InChIKey: LXBLPKWPBMJMOW-UHFFFAOYAT