-
Name
5-Bromo-2-chloro(trifluoromethoxy)benzene
- EINECS
- CAS No. 406232-79-9
- Article Data6
- CAS DataBase
- Density 1.744 g/cm3
- Solubility
- Melting Point
- Formula C7H3BrClF3O
- Boiling Point 194.278 °C at 760 mmHg
- Molecular Weight 275.452
- Flash Point 71.297 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Bromo-1-chloro-2-[(trifluoromethyl)oxy]benzene;4-Bromo-1-chloro-2-trifluoromethoxy-benzene;5-Bromo-2-chloro-1-trifluoromethoxybenzene;
- PSA 9.23000
- LogP 4.00110
Benzene,4-bromo-1-chloro-2-(trifluoromethoxy)- Specification
The Benzene, 4-bromo-1-chloro-2-(trifluoromethoxy)-, with the CAS registry number 406232-79-9, is also known as 5-Bromo-2-chlorophenyl trifluoromethyl ether. This chemical's molecular formula is C7H3BrClF3O and molecular weight is 275.4503. What's more, its IUPAC name is 4-Bromo-1-chloro-2-(trifluoromethoxy)benzene.
Physical properties about Benzene, 4-bromo-1-chloro-2-(trifluoromethoxy)- are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1673; (6)ACD/BCF (pH 7.4): 1673; (7)ACD/KOC (pH 5.5): 7064; (8)ACD/KOC (pH 7.4): 7064; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 45.974 cm3; (15)Molar Volume: 157.963 cm3; (16)Polarizability: 18.225×10-24 cm3; (17)Surface Tension: 31.399 dyne/cm; (18)Density: 1.744 g/cm3; (19)Flash Point: 71.297 °C; (20)Enthalpy of Vaporization: 41.286 kJ/mol; (21)Boiling Point: 194.278 °C at 760 mmHg; (22)Vapour Pressure: 0.622 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(Br)cc1OC(F)(F)F
(2) InChI: InChI=1/C7H3BrClF3O/c8-4-1-2-5(9)6(3-4)13-7(10,11)12/h1-3H
(3) InChIKey: RIYJUHWBFADNIE-UHFFFAOYAA
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