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| CAS No.: | 38696-20-7 |
|---|---|
| Name: | 5-Bromo-2-phenylpyrimidine |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C10H7BrN2 |
| Molecular Weight: | 235.083 |
| Synonyms: | 5-Bromo-2-Phenylpyrimidine |
| Density: | 1.494 g/cm3 |
| Melting Point: | 83-84 °C(Solv: ethyl acetate (141-78-6)) |
| Boiling Point: | 232.138 °C at 760 mmHg |
| Flash Point: | 94.194 °C |
| PSA: | 25.78000 |
| LogP: | 2.90610 |
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- Total:37 Page 1 of 1 1
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Specification
The 5-Bromo-2-phenylpyrimidine is an organic compound with the formula C10H7BrN2. The systematic name of this chemical is 5-bromo-2-phenylpyrimidine. With the CAS registry number 38696-20-7, it is also named as pyrimidine, 5-bromo-2-phenyl-.
Physical properties about 5-Bromo-2-phenylpyrimidine are: (1)ACD/LogP: 2.78; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 131; (5)ACD/BCF (pH 7.4): 131; (6)ACD/KOC (pH 5.5): 1139; (7)ACD/KOC (pH 7.4): 1139; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78 Å2; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 54.717 cm3; (13)Molar Volume: 157.35 cm3; (14)Polarizability: 21.692×10-24cm3; (15)Surface Tension: 50.482 dyne/cm; (16)Density: 1.494 g/cm3; (17)Flash Point: 94.194 °C; (18)Enthalpy of Vaporization: 44.978 kJ/mol; (19)Boiling Point: 232.138 °C at 760 mmHg; (20)Vapour Pressure: 0.091 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(nc1)c2ccccc2
(2)InChI: InChI=1/C10H7BrN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: ZZKCBZDJCZZPSM-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H7BrN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H
(5)Std. InChIKey: ZZKCBZDJCZZPSM-UHFFFAOYSA-N