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| CAS No.: | 59907-13-0 |
|---|---|
| Name: | 2-BROMO-3-FLUOROTOLUENE |
| Molecular Structure: | |
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| Formula: | C7H6BrF |
| Molecular Weight: | 189.027 |
| Synonyms: | 2-Bromo-3-fluorotoluene;2-Brom-1-fluor-3-methylbenzol;2-Bromo-1-fluoro-3-methylbenzene;3-Fluoro-2-Bromo Toluene; |
| EINECS: | 261-982-6 |
| Density: | 1.498 g/cm3 |
| Melting Point: | 118-123℃ |
| Boiling Point: | 182.8 °C at 760 mmHg |
| Flash Point: | 66.7 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
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| PSA: | 0.00000 |
| LogP: | 2.89660 |
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Specification
The Benzene,2-bromo-1-fluoro-3-methyl-, with the CAS registry number 59907-13-0, is also known as 2-Bromo-3-fluorotoluene. It belongs to the product categories of Fluorin-contained toluene series; Halogen toluene. Its EINECS number is 261-982-6. This chemical's molecular formula is C7H6BrF and formula weight is 189.02. What's more, its IUPAC name is 2-bromo-1-fluoro-3-methylbenzene.
Physical properties of Benzene,2-bromo-1-fluoro-3-methyl- are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.41; (3)ACD/BCF (pH 5.5): 231.87; (4)ACD/KOC (pH 5.5): 1716.51; (5)Index of Refraction: 1.526; (6)Molar Refractivity: 38.76 cm3; (7)Molar Volume: 126.1 cm3; (8)Surface Tension: 33.1 dyne/cm; (9)Density: 1.498 g/cm3; (10)Flash Point: 66.7 °C; (11)Enthalpy of Vaporization: 40.18 kJ/mol; (12)Boiling Point: 182.8 °C at 760 mmHg; (13)Vapour Pressure: 1.09 mmHg at 25°C.
Uses of Benzene,2-bromo-1-fluoro-3-methyl-: it can be used to produce 3,11,11-trimethyl-1,8-diphenyl-11-sila-tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene at the temperature of 25°C. It will need solvent tetrahydrofuran with the reaction time of 6 hours. The yield is about 76%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=CC=C1)F)Br
(2)InChI: InChI=1S/C7H6BrF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
(3)InChIKey: FYCXRRYRNRDSRM-UHFFFAOYSA-N