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| CAS No.: | 17318-08-0 |
|---|---|
| Name: | 5-Bromo-1,3-dichloro-2-fluorobenzene |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H2BrCl2F |
| Molecular Weight: | 243.89 |
| Synonyms: | 5-Bromo-1,3-dichloro-2-fluorobenzene;Benzene, 5-bromo-1,3-dichloro-2-fluoro-;LogP |
| Density: | 1.824 g/cm3 |
| Boiling Point: | 234.265 °C at 760 mmHg |
| Flash Point: | 95.48 °C |
| PSA: | 0.00000 |
| LogP: | 3.89500 |
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Specification
This product is an organic compound with the formula C6H2BrCl2F. The systematic name of this chemical is 5-bromo-1,3-dichloro-2-fluorobenzene. With the CAS registry number 17318-08-0, it is also named as Benzene, 5-bromo-1,3-dichloro-2-fluoro-. In addition, it should be stored at the room temperature.
The other characteristics of 5-Bromo-1,3-dichloro-2-fluorobenzene can be summarized as: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 1086.72; (6)ACD/BCF (pH 7.4): 1086.72; (7)ACD/KOC (pH 5.5): 5186.23; (8)ACD/KOC (pH 7.4): 5186.23; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 43.72 cm3; (15)Molar Volume: 133.7 cm3; (16)Polarizability: 17.33×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.823 g/cm3; (19)Flash Point: 95.5 °C; (20)Enthalpy of Vaporization: 45.19 kJ/mol; (21)Boiling Point: 234.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0815 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Fc1c(Cl)cc(Br)cc1Cl
2. InChI:InChI=1/C6H2BrCl2F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
3. InChIKey:MMJSIYGLDQNUTH-UHFFFAOYAZ
4. Std. InChI:InChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
5. Std. InChIKey:MMJSIYGLDQNUTH-UHFFFAOYSA-N