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| CAS No.: | 354574-56-4 |
|---|---|
| Name: | 4-BROMO-2,6-DIMETHYLPYRIMIDINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H7BrN2 |
| Molecular Weight: | 187.039 |
| Synonyms: | 4-Bromo-2,6-dimethylpyrimidine; |
| Density: | 1.501 g/cm3 |
| Boiling Point: | 219.24 °C at 760 mmHg |
| Flash Point: | 86.394 °C |
| PSA: | 25.78000 |
| LogP: | 1.85590 |
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- Total:14 Page 1 of 1 1
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Specification
The Pyrimidine, 4-bromo-2,6-dimethyl- has the CAS registry number 354574-56-4. This chemical's molecular formula is C6H7BrN2 and molecular weight is 187.04. What's more, its systematic name is 4-bromo-2,6-dimethylpyrimidine.
Physical properties of Pyrimidine, 4-bromo-2,6-dimethyl- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/KOC (pH 5.5): 105; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.551; (11)Molar Refractivity: 39.775 cm3; (12)Molar Volume: 124.616 cm3; (13)Surface Tension: 44.222 dyne/cm; (14)Density: 1.501 g/cm3; (15)Flash Point: 86.394 °C; (16)Enthalpy of Vaporization: 43.709 kJ/mol; (17)Boiling Point: 219.24 °C at 760 mmHg; (18)Vapour Pressure: 0.178 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1nc(nc(c1)C)C
(2)InChI: InChI=1S/C6H7BrN2/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3
(3)InChIKey: PTCKNLGMBFKIFP-UHFFFAOYSA-N