| Identification | |
| Name: | Pyrimidine,4-chloro-5-fluoro-2-methyl- |
| Synonyms: | 4-Chloro-5-fluoro-2-methylpyrimidine;5-Fluoro-4-chloro-2-methylpyrimidine; |
| CAS: | 898044-50-3 |
| Molecular Formula: | C5H4ClFN2 |
| Molecular Weight: | 146.55 |
| InChI: | InChI=1/C5H4ClFN2/c1-3-8-2-4(7)5(6)9-3/h2H,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.352 g/cm3 |
| Refractive index: | 1.505 |
| Specification: |
The 4-Chloro-5-fluoro-2-methylpyrimidine, with the CAS registry number 898044-50-3, is also called 5-Fluoro-4-chloro-2-methylpyrimidine. And the molecular formula of the chemical is C5H4ClFN2. The characteristics of this chemical are as followings: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.03; (6)ACD/BCF (pH 7.4): 2.03; (7)ACD/KOC (pH 5.5): 57.69; (8)ACD/KOC (pH 7.4): 57.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 32.14 cm3; (15)Molar Volume: 108.3 cm3; (16)Polarizability: 12.74×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 60.8 °C; (20)Enthalpy of Vaporization: 39.62 kJ/mol; (21)Boiling Point: 176.9 °C at 760 mmHg; (22)Vapour Pressure: 1.44 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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