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Name |
2-(Trifluoromethoxy)chlorobenzene |
EINECS | N/A |
CAS No. | 450-96-4 | Density | 1.386 g/cm3 |
PSA | 9.23000 | LogP | 3.23860 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4ClF3O | Boiling Point | 143.6 °C at 760 mmHg |
Molecular Weight | 196.556 | Flash Point | 40.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R49; R8; R43; R50/53; R20/21/22 | |
Molecular Structure | Hazard Symbols | O,T,N | |
Synonyms |
Anisole,o-chloro-a,a,a-trifluoro- (7CI,8CI);2-Chlorophenyl trifluoromethyl ether; |
Article Data | 14 |
The 2-(Trifluoromethoxy)chlorobenzene with the CAS number 450-96-4 is also called Benzene,1-chloro-2-(trifluoromethoxy)-. The systematic name is 1-chloro-2-(trifluoromethoxy)benzene. Its molecular formula is C7H4ClF3O. This chemical is a kind of organics and should be stored in dry and cool place at room temperature.
Physical properties about 2-(Trifluoromethoxy)chlorobenzene are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 391.48; (6)ACD/BCF (pH 7.4): 391.48; (7)ACD/KOC (pH 5.5): 2497.27; (8)ACD/KOC (pH 7.4): 2497.27; (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: 1.452; (14)Molar Refractivity: 38.28 cm3; (15)Molar Volume: 141.7 cm3; (16)Polarizability: 15.17×10-24cm3; (17)Surface Tension: 27 dyne/cm; (18)Enthalpy of Vaporization: 36.5 kJ/mol; (19)Vapour Pressure: 6.66 mmHg at 25 °C.
Preparation of 2-(Trifluoromethoxy)chlorobenzene: it is prepared by reaction of (2-chloro-phenyl)-trichloromethyl ether. The reaction needs reagent HF at the temperature of 140 °C for 4.5 hours, and the reaction pressure is 19501.6 . The yield is about 82%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1OC(F)(F)F
(2)InChI: InChI=1/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
(3)InChIKey: NZRLCYJRHKUVCV-UHFFFAOYAY