Basic information
- Name:
5-Bromo-2-fluoropyrimidine
- CAS No.:
62802-38-4
- Molecular Structure:
- Formula:
- C4H2BrFN2
- Molecular Weight:
- 176.97
- Synonyms:
- 2-Fluoro-5-bromopyrimidine;Pyrimidine, 5-bromo-2-fluoro-;
- Density:
- 1.838 g/cm3
- Boiling Point:
- 270.8 °C at 760 mmHg
- Flash Point:
- 117.6 °C
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Specification
The 5-Bromo-2-fluoropyrimidine, with the CAS registry number 62802-38-4, is also called 2-Fluoro-5-bromopyrimidine. It is a kind of irritant chemical, and belongs to the product categories of Pyrimidine and Organohalides. And the molecular formula of this chemical is C4H2BrFN2.
The physical properties of 5-Bromo-2-fluoropyrimidine are as following: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.35; (6)ACD/BCF (pH 7.4): 2.35; (7)ACD/KOC (pH 5.5): 64.22; (8)ACD/KOC (pH 7.4): 64.22; (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: 1.538; (14)Molar Refractivity: 30.11 cm3; (15)Molar Volume: 96.2 cm3; (16)Polarizability: 11.94×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.838 g/cm3; (19)Flash Point: 117.6 °C; (20)Enthalpy of Vaporization: 48.85 kJ/mol; (21)Boiling Point: 270.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(F)nc1
(2)InChI: InChI=1/C4H2BrFN2/c5-3-1-7-4(6)8-2-3/h1-2H
(3)InChIKey: CTWZYPZCDJKBRS-UHFFFAOYAF
