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| CAS No.: | 239087-08-2 |
|---|---|
| Name: | 2-FLUORO-6-(TRIFLUOROMETHYL)BENZYL BROMIDE |
| Molecular Structure: | |
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|
|
| Formula: | C8H5BrF4 |
| Molecular Weight: | 257.025 |
| Synonyms: | 2-Bromomethyl-1-fluoro-3-trifluoromethylbenzene; |
| EINECS: | -0 |
| Density: | 1.641 g/cm3 |
| Melting Point: | 38-42 °C(lit.) |
| Boiling Point: | 185.736 °C at 760 mmHg |
| Flash Point: | 85.706 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-27-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 3.73940 |
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Specification
The Benzene,2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)-, with the CAS registry number 239087-08-2, is also known as 2-Fluoro-6-(trifluoromethyl)benzyl bromide 98%. It belongs to the product categories of Aryl; C8; Halogenated Hydrocarbons. This chemical's molecular formula is C8H5BrF4 and molecular weight is 257.02. Its systematic name is called 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene. This chemical is white to light yellow crystal powder.
Physical properties of Benzene,2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)-: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 3.38; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 219.41; (5)ACD/BCF (pH 7.4): 219.41; (6)ACD/KOC (pH 5.5): 1649.97; (7)ACD/KOC (pH 7.4): 1649.97; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.472; (10)Molar Refractivity: 43.87 cm3; (11)Molar Volume: 156.6 cm3; (12)Surface Tension: 28 dyne/cm; (13)Density: 1.64 g/cm3; (14)Flash Point: 85.7 °C; (15)Enthalpy of Vaporization: 40.47 kJ/mol; (16)Boiling Point: 185.7 °C at 760 mmHg; (17)Vapour Pressure: 0.942 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(cccc1F)C(F)(F)F
(2)InChI: InChI=1/C8H5BrF4/c9-4-5-6(8(11,12)13)2-1-3-7(5)10/h1-3H,4H2
(3)InChIKey: RINUERVPFANASB-UHFFFAOYAN