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CAS No.: | 142137-17-5 |
---|---|
Name: | 3-Bromo-5-phenylpyridine |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C11H8BrN |
Molecular Weight: | 234.095 |
Synonyms: | 5-phenyl-3-bromopyridine;3-bromo-5-phenyl-pyridine; |
Density: | 1.426 g/cm3 |
Melting Point: | 46.0 to 50.0 °C |
Boiling Point: | 308.4 °C at 760 mmHg |
Flash Point: | 140.3 °C |
PSA: | 12.89000 |
LogP: | 3.51110 |
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The 3-Bromo-5-phenylpyridine is an organic compound with the formula C11H8BrN. The systematic name of this chemical is 3-bromo-5-phenylpyridine. With the CAS registry number 142137-17-5, it is also named as pyridine, 3-bromo-5-phenyl-. The product's categories are Halides; Pyridines.
Physical properties about 3-Bromo-5-phenylpyridine are: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 3.59; (3)ACD/LogD (pH 7.4): 3.59; (4)ACD/BCF (pH 5.5): 315.43; (5)ACD/BCF (pH 7.4): 315.73; (6)ACD/KOC (pH 5.5): 2138.94; (7)ACD/KOC (pH 7.4): 2141; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.89 Å2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 56.62 cm3; (13)Molar Volume: 164.1 cm3; (14)Polarizability: 22.44×10-24cm3; (15)Surface Tension: 45 dyne/cm; (16)Density: 1.426 g/cm3; (17)Flash Point: 140.3 °C; (18)Enthalpy of Vaporization: 52.71 kJ/mol; (19)Boiling Point: 308.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00124 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc(c1ccccc1)cnc2
(2)InChI: InChI=1/C11H8BrN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H
(3)InChIKey: AWCQJXPOCRXHNK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C11H8BrN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H
(5)Std. InChIKey: AWCQJXPOCRXHNK-UHFFFAOYSA-N