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160968-99-0

Basic Information
CAS No.: 160968-99-0
Name: 2-(2,2,2-Trifluoroethoxy)phenol
Article Data: 6
Molecular Structure:
Molecular Structure of 160968-99-0 (2-(2,2,2-Trifluoroethoxy)phenol)
Formula: C8H7F3O2
Molecular Weight: 192.138
Synonyms: 2-(2,2,2-Trifluoroethoxy)phenol;
EINECS: 1308068-626-2
Density: 1.327 g/cm3
Melting Point: 49-50 °C
Boiling Point: 202.501 °C at 760 mmHg
Flash Point: 101.698 °C
Appearance: colorless to pink solid
PSA: 29.46000
LogP: 2.33330
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Specification

The 2-(2,2,2-Trifluoroethoxy)phenol with the CAS number 160968-99-0 is also called Phenol,2-(2,2,2-trifluoroethoxy)-. Its molecular formula is C8H7F3O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-(2,2,2-Trifluoroethoxy)phenol are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 25.37; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 352.2; (8)ACD/KOC (pH 7.4): 347.04; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 39.9 cm3; (15)Molar Volume: 144.7 cm3; (16)Polarizability: 15.81×10-24cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Enthalpy of Vaporization: 45.66 kJ/mol; (19)Vapour Pressure: 0.205 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COc1ccccc1O
(2)InChI: InChI=1/C8H7F3O2/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4,12H,5H2
(3)InChIKey: VDWGLBLCECKXRU-UHFFFAOYAY