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| CAS No.: | 158579-80-7 |
|---|---|
| Name: | 4-Bromo-2-chloro-1-(trifluoromethoxy)benzene |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H3BrClF3O |
| Molecular Weight: | 275.452 |
| Synonyms: | 4-Bromo-2-chloro-1-(trifluoromethoxy)benzene; |
| Density: | 1.743 g/cm3 |
| Boiling Point: | 203.1 °C at 760 mmHg |
| Flash Point: | 76.6 °C |
| PSA: | 9.23000 |
| LogP: | 4.00110 |
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Specification
The Benzene, 4-bromo-2-chloro-1-(trifluoromethoxy)-, with the CAS registry number 158579-80-7, is also known as TL80074160. This chemical's molecular formula is C7H3BrClF3O and molecular weight is 275.4503. What's more, its IUPAC name is 4-Bromo-2-chloro-1-(trifluoromethoxy)benzene.
Physical properties about Benzene, 4-bromo-2-chloro-1-(trifluoromethoxy)- are: (1)ACD/LogP: 4.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.7; (4)ACD/LogD (pH 7.4): 4.7; (5)ACD/BCF (pH 5.5): 2181.78; (6)ACD/BCF (pH 7.4): 2181.78; (7)ACD/KOC (pH 5.5): 8541.18; (8)ACD/KOC (pH 7.4): 8541.18; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 45.97 cm3; (14)Molar Volume: 157.9 cm3; (15)Polarizability: 18.22×10-24 cm3; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 1.743 g/cm3; (18)Flash Point: 76.6 °C; (19)Enthalpy of Vaporization: 42.14 kJ/mol; (20)Boiling Point: 203.1 °C at 760 mmHg; (21)Vapour Pressure: 0.403 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Cl)c(OC(F)(F)F)cc1
(2) InChI: InChI=1/C7H3BrClF3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
(3) InChIKey: WSENYRJAJFHXQR-UHFFFAOYAZ