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| CAS No.: | 85510-82-3 |
|---|---|
| Name: | 4-BROMO-2-FLUOROBENZYL CHLORIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5BrClF |
| Molecular Weight: | 223.47 |
| Synonyms: | 2-Fluoro-4-bromobenzylchloride;4-Bromo-1-(chloromethyl)-2-fluorobenzene;4-Bromo-2-fluorobenzylchloride; |
| Density: | 1.624 g/cm3 |
| Boiling Point: | 241.3 °C at 760 mmHg |
| Flash Point: | 99.8 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-20/22 |
| Safety: | 45-36/37/39-26 |
| PSA: | 0.00000 |
| LogP: | 3.32700 |
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Specification
The Benzene,4-bromo-1-(chloromethyl)-2-fluoro-, with the CAS registry number 85510-82-3, is also known as 4-Bromo-2-fluorobenzyl chloride. This chemical's molecular formula is C7H5BrClF and molecular weight is 223.47. What's more, both its IUPAC name and systematic name are the same which is called 4-Bromo-1-(chloromethyl)-2-fluorobenzene. This chemical is clear colorless liquid.
Physical properties about Benzene,4-bromo-1-(chloromethyl)-2-fluoro- are: (1) ACD/LogP: 3.30; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.3; (4) ACD/LogD (pH 7.4): 3.3; (5) ACD/BCF (pH 5.5): 189.82; (6) ACD/BCF (pH 7.4): 189.82; (7) ACD/KOC (pH 5.5): 1487.47; (8) ACD/KOC (pH 7.4): 1487.47; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.548; (14) Molar Refractivity: 43.7 cm3; (15) Molar Volume: 137.5 cm3; (16) Surface Tension: 37.4 dyne/cm; (17) Density: 1.624 g/cm3; (18)Flash Point: 99.8 °C; (19) Enthalpy of Vaporization: 45.89 kJ/mol; (20) Boiling Point: 241.3 °C at 760 mmHg; (21) Vapour Pressure: 0.056 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation and if swallowed. It may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1c(F)cc(Br)cc1
(2) InChI: InChI=1/C7H5BrClF/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,4H2
(3) InChIKey: UDKQGFMDBMYVHI-UHFFFAOYAB