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Name |
3-(4-Bromophenyl)pyridine |
EINECS | -0 |
CAS No. | 129013-83-8 | Density | 1.426g/cm3 |
PSA | 12.89000 | LogP | 3.51110 |
Solubility | N/A | Melting Point |
38.0 to 42.0 °C |
Formula | C11H8BrN | Boiling Point | 331.9 °C at 760 mmHg |
Molecular Weight | 234.095 | Flash Point | 154.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(4-BROMOPHENYL)PYRIDINE |
Article Data | 29 |
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