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| CAS No.: | 14548-45-9 |
|---|---|
| Name: | 4-bromophenyl 3-pyridyl ketone |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C12H8BrNO |
| Molecular Weight: | 262.106 |
| Synonyms: | Ketone,p-bromophenyl 3-pyridyl (8CI);4-Bromophenyl 3-pyridyl ketone;p-Bromophenyl3-pyridyl ketone;(4-Bromophenyl)(pyridin-3-yl)methanone; |
| EINECS: | 238-585-1 |
| Density: | 1.481 g/cm3 |
| Melting Point: | 123-124.5 °C |
| Boiling Point: | 371.2 °C at 760mmHg |
| Flash Point: | 178.3 °C |
| PSA: | 29.96000 |
| LogP: | 3.07510 |
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- Total:9 Page 1 of 1 1
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Specification
The CAS registry number of Methanone,(4-bromophenyl)-3-pyridinyl- is 14548-45-9. Its EINECS registry number is 238-585-1. The IUPAC name is (4-bromophenyl)-pyridin-3-ylmethanone. In addition, the molecular formula is C12H8BrNO and the molecular weight is 262.10. It should be stored in a cool and dry place.
Physical properties about Methanone,(4-bromophenyl)-3-pyridinyl- are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.51; (5)ACD/BCF (pH 7.4): 81.67; (6)ACD/KOC (pH 5.5): 811.73; (7)ACD/KOC (pH 7.4): 813.32; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 61.82 cm3; (13)Molar Volume: 176.9 cm3; (14)Polarizability: 24.51 ×10-24cm3; (15)Surface Tension: 50.4 dyne/cm; (16)Density: 1.481 g/cm3; (17)Flash Point: 178.3 °C; (18)Enthalpy of Vaporization: 61.81 kJ/mol; (19)Boiling Point: 371.2 °C at 760 mmHg; (20)Vapour Pressure: 1.05E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)c2cccnc2
(2)InChI: InChI=1/C12H8BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H
(3)InChIKey: IDGVUIHZWDVXOQ-UHFFFAOYAI