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| CAS No.: | 344-16-1 |
|---|---|
| Name: | 6-Bromo-1-fluoro-2,4-dimethylbenzene |
| Molecular Structure: | |
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| Formula: | C8H8BrF |
| Molecular Weight: | 203.05 |
| Synonyms: | m-Xylene,5-bromo-4-fluoro- (7CI,8CI);1-Bromo-2-fluoro-3,5-dimethylbenzene;2,4-Dimethyl-6-Bromofluorobenzene;Benzene,1-bromo-2-fluoro-3,5-dimethyl-;6-Bromo-2,4-dimethyl-1-fluorobenzene;5-Bromo-4-fluoro-m-xylene; |
| Density: | 1.426 g/cm3 |
| Boiling Point: | 207 °C at 760 mmHg |
| Flash Point: | 81.6 °C |
| PSA: | 0.00000 |
| LogP: | 3.20500 |
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Specification
The 6-Bromo-1-fluoro-2,4-dimethylbenzene, with the CAS registry number 344-16-1, is also known as 2,4-Dimethyl-6-Bromofluorobenzene. This chemical's molecular formula is C8H8BrF and molecular weight is 203.05. What's more, its systematic name is 1-bromo-2-fluoro-3,5-dimethylbenzene.
Physical properties of 6-Bromo-1-fluoro-2,4-dimethylbenzene are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/BCF (pH 5.5): 518.68; (5)ACD/KOC (pH 5.5): 3054.42; (6)Index of Refraction: 1.524; (7)Molar Refractivity: 43.58 cm3; (8)Molar Volume: 142.3 cm3; (9)Surface Tension: 32.5 dyne/cm; (10)Density: 1.426 g/cm3; (11)Flash Point: 81.6 °C; (12)Enthalpy of Vaporization: 42.51 kJ/mol; (13)Boiling Point: 207 °C at 760 mmHg; (14)Vapour Pressure: 0.332 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(C)cc(Br)c1F
(2)InChI: InChI=1S/C8H8BrF/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,1-2H3
(3)InChIKey: HGVBXEOMBASYFG-UHFFFAOYSA-N