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| CAS No.: | 883499-24-9 |
|---|---|
| Name: | 2-Chloro-3-fluorobromobenzene |
| Molecular Structure: | |
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|
|
| Formula: | C6H3BrClF |
| Molecular Weight: | 209.445 |
| Synonyms: | 1-Bromo-2-chloro-3-fluorobenzene; |
| Density: | 1.719 g/cm3 |
| Melting Point: | 29 °C |
| Boiling Point: | 205.7 °C at 760 mmHg |
| Flash Point: | 78.2 °C |
| Hazard Symbols: |
 Xn;  Xi
|
| PSA: | 0.00000 |
| LogP: | 3.24160 |
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Specification
The Benzene,1-bromo-2-chloro-3-fluoro-, with CAS registry number 883499-24-9, belongs to the following product categories: (1)Blocks; (2)Bromides. It has the systematic name of 1-bromo-2-chloro-3-fluorobenzene. And the chemical formula of this chemical is C6H3BrClF.
Physical properties of Benzene,1-bromo-2-chloro-3-fluoro-: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 38.83 cm3; (9)Molar Volume: 121.7 cm3; (10)Polarizability: 15.39×10-24cm3; (11)Surface Tension: 37.2 dyne/cm; (12)Enthalpy of Vaporization: 42.39 kJ/mol; (13)Vapour Pressure: 0.353 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(Br)c1Cl
(2)InChI: InChI=1/C6H3BrClF/c7-4-2-1-3-5(9)6(4)8/h1-3H
(3)InChIKey: GTIWFNAUYPVPAT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H3BrClF/c7-4-2-1-3-5(9)6(4)8/h1-3H
(5)Std. InChIKey: GTIWFNAUYPVPAT-UHFFFAOYSA-N