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| CAS No.: | 893567-22-1 |
|---|---|
| Name: | 5-Bromo-2-(cyclobutyl)pyrimidine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H9BrN2 |
| Molecular Weight: | 213.077 |
| Synonyms: | Pyrimidine, 5-bromo-2-cyclobutyl-; |
| Density: | 1.5±0.1 g/cm3 |
| Boiling Point: | 272.6±13.0 °C at 760 mmHg |
| Flash Point: | 118.6±19.8 °C |
| PSA: | 25.78000 |
| LogP: | 2.50660 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- Total:4 Page 1 of 1 1
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Specification
The 5-Bromo-2-(cyclobutyl)pyrimidine, with the CAS registry number 893567-22-1, is also known as Pyrimidine, 5-bromo-2-cyclobutyl-. This chemical's molecular formula is C8H9BrN2 and molecular weight is 211.99. What's more, its systematic name is the same with its product name.
Physical properties about 5-Bromo-2-(cyclobutyl)pyrimidine are: (1)ACD/LogP: 1.88±0.31 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.80; (6)ACD/BCF (pH 7.4): 15.80; (7)ACD/KOC (pH 5.5): 250.94; (8)ACD/KOC (pH 7.4): 250.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 46.8±0.3 cm3; (15)Molar Volume: 137.8±3.0 cm3; (16)Polarizability: 18.5±0.5×10-24cm3; (17)Surface Tension: 53.3±3.0 dyne/cm; (18)Density: 1.5±0.1 g/cm3; (19)Flash Point: 118.6±19.8 °C; (20)Enthalpy of Vaporization: 49.0±3.0 kJ/mol; (21)Boiling Point: 272.6±13.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.5 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc(n1)C2CCC2)Br
(2) InChI: InChI=1S/C8H9BrN2/c9-7-4-10-8(11-5-7)6-2-1-3-6/h4-6H,1-3H2
(3) InChIKey: GGRDQVNIRHJZCI-UHFFFAOYSA-N