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| CAS No.: | 947533-45-1 |
|---|---|
| Name: | 2-Bromo-5-fluoropyrimidine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4H3BrFN2 |
| Molecular Weight: | 176.976 |
| Synonyms: | 2-bromo-5-fluoropyrimidine |
| Density: | 1.838 g/cm3 |
| Boiling Point: | 255 °C at 760 mmHg |
| Flash Point: | 108 °C |
| PSA: | 25.78000 |
| LogP: | 1.37820 |
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Specification
The Pyrimidine,2-bromo-5-fluoro- is an organic compound with the formula C4H3BrFN2. The IUPAC name of this chemical is 2-bromo-5-fluoropyrimidine. With the CAS registry number 947533-45-1, it is also named as 2-Bromo-5-fluoro-1-pyrimidine. The product's categories are Building Blocks; Pyrimidine.
Physical properties about Pyrimidine,2-bromo-5-fluoro- are: (1)ACD/LogP: 0.55; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): 0.55; (4)#H bond acceptors: 2; (5)Polar Surface Area: 25.78 Å2; (6)Index of Refraction: 1.538; (7)Molar Refractivity: 30.11 cm3; (8)Molar Volume: 96.2 cm3; (9)Polarizability: 11.94×10-24cm3; (10)Surface Tension: 47.8 dyne/cm; (11)Density: 1.838 g/cm3; (12)Flash Point: 108 °C; (13)Enthalpy of Vaporization: 47.26 kJ/mol; (14)Boiling Point: 255 °C at 760 mmHg; (15)Vapour Pressure: 0.0267 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(n1)Br)F
(2)InChI: InChI=1/C4H2BrFN2/c5-4-7-1-3(6)2-8-4/h1-2H
(3)InChIKey: ANSMRNCOBLTNBO-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H2BrFN2/c5-4-7-1-3(6)2-8-4/h1-2H
(5)Std. InChIKey: ANSMRNCOBLTNBO-UHFFFAOYSA-N