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| CAS No.: | 1548-81-8 |
|---|---|
| Name: | 2-Fluoro-6-bromobenzyl bromide |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H5Br2F |
| Molecular Weight: | 267.923 |
| Synonyms: | 1-Bromo-2-bromomethyl-3-fluorobenzene;Toluene, a,2-dibromo-6-fluoro- (7CI,8CI);2-Bromo-6-fluorobenzyl bromide; |
| Density: | 1.923 g/cm3 |
| Boiling Point: | 249 °C at 760 mmHg |
| Flash Point: | 104.4 °C |
| PSA: | 0.00000 |
| LogP: | 3.48310 |
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Specification
The Benzene, 1-bromo-2-(bromomethyl)-3-fluoro-, with the CAS registry number 1548-81-8, is also known as 2-Fluoro-6-bromobenzyl bromide. This chemical's molecular formula is C7H5Br2F and molecular weight is 267.9210. What's more, its IUPAC name is 1-Bromo-2-(bromomethyl)-3-fluorobenzene.
Physical properties about Benzene, 1-bromo-2-(bromomethyl)-3-fluoro- are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 46.58 cm3; (11)Molar Volume: 139.3 cm3; (12)Polarizability: 18.46×10-24 cm3; (13)Surface Tension: 41.6 dyne/cm; (14)Density: 1.923 g/cm3; (15)Flash Point: 104.4 °C; (16)Enthalpy of Vaporization: 46.66 kJ/mol; (17)Boiling Point: 249 °C at 760 mmHg; (18)Vapour Pressure: 0.037 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1c(F)cccc1Br
(2) InChI: InChI=1/C7H5Br2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
(3) InChIKey: YCICURIWHWLGTN-UHFFFAOYAO