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| CAS No.: | 129013-83-8 |
|---|---|
| Name: | 3-(4-BROMOPHENYL)PYRIDINE |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C11H8BrN |
| Molecular Weight: | 234.095 |
| Synonyms: | 3-(4-BROMOPHENYL)PYRIDINE |
| EINECS: | -0 |
| Density: | 1.426g/cm3 |
| Melting Point: | 38.0 to 42.0 °C |
| Boiling Point: | 331.9 °C at 760 mmHg |
| Flash Point: | 154.5 °C |
| PSA: | 12.89000 |
| LogP: | 3.51110 |
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Specification
The 3-(4-Bromophenyl)-pyridine, with CAS registry number 129013-83-8, belongs to the following product category: Pharmacetical. It has the systematic name of 3-(4-bromophenyl)pyridine. Besides this, it is also called pyridine, 3-(4-bromophenyl)-. And the chemical formula of this chemical is C11H8BrN.
Physical properties of 3-(4-Bromophenyl)-pyridine: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 260.34; (6)ACD/BCF (pH 7.4): 300.52; (7)ACD/KOC (pH 5.5): 1789.34; (8)ACD/KOC (pH 7.4): 2065.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 56.62 cm3; (15)Molar Volume: 164.1 cm3; (16)Polarizability: 22.44×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 154.5 °C; (20)Enthalpy of Vaporization: 55.18 kJ/mol; (21)Boiling Point: 331.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000291 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1cccnc1)cc2
(2)InChI: InChI=1/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
(3)InChIKey: FCHUOBPHXDXZBK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
(5)Std. InChIKey: FCHUOBPHXDXZBK-UHFFFAOYSA-N