-
Name
5-Bromo-1,3-dichloro-2-fluorobenzene
- EINECS
- CAS No. 17318-08-0
- Article Data4
- CAS DataBase
- Density 1.824 g/cm3
- Solubility
- Melting Point
- Formula C6H2BrCl2F
- Boiling Point 234.265 °C at 760 mmHg
- Molecular Weight 243.89
- Flash Point 95.48 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-Bromo-1,3-dichloro-2-fluorobenzene;Benzene, 5-bromo-1,3-dichloro-2-fluoro-;LogP
- PSA 0.00000
- LogP 3.89500
5-Bromo-1,3-dichloro-2-fluorobenzene 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
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