Basic Information | Post buying leads | Suppliers |
Name |
2-Bromo-6-chlorobenzotrifluoride |
EINECS | N/A |
CAS No. | 857061-44-0 | Density | 1.717 g/cm3 |
PSA | 0.00000 | LogP | 4.12130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3BrClF3 | Boiling Point | 210.8 °C at 760 mmHg |
Molecular Weight | 259.453 | Flash Point | 81.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-6-chlorobenzotrifluoride; |
The 2-Bromo-6-chlorobenzotrifluoride with the cas number 857061-44-0 is also called Benzene,1-bromo-3-chloro-2-(trifluoromethyl)-. The systematic name is 1-bromo-3-chloro-2-(trifluoromethyl)benzene. Its molecular formula is C7H3BrClF3.
The properties of the chemical are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 816.34; (6)ACD/BCF (pH 7.4): 816.34; (7)ACD/KOC (pH 5.5): 4225.88; (8)ACD/KOC (pH 7.4): 4225.88; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.491; (13)Molar Refractivity: 43.81 cm3; (14)Molar Volume: 151 cm3; (15)Polarizability: 17.37×10-24cm3; (16)Surface Tension: 29 dyne/cm; (17)Enthalpy of Vaporization: 42.89 kJ/mol; (18)Vapour Pressure: 0.273 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(Cl)cccc1Br
(2)InChI: InChI=1/C7H3BrClF3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
(3)InChIKey: XPIQQGXRDHXMGQ-UHFFFAOYAI