2-(DIFLUOROMETHOXY)PHENOL 98

The Phenol,2-(difluoromethoxy)-, with CAS registry number 53104-96-4, has the systematic name of 2-(difluoromethoxy)phenol. Besides this, it is also called 2-(Difluoromethoxy)phenol 98. And the chemical formula of this chemical is C₇H₆F₂O₂.

Physical properties of Phenol,2-(difluoromethoxy)-: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.43; (6)ACD/BCF (pH 7.4): 6.13; (7)ACD/KOC (pH 5.5): 131.84; (8)ACD/KOC (pH 7.4): 125.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 35.09 cm³; (15)Molar Volume: 123.1 cm³; (16)Polarizability: 13.91×10^-24cm³; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 99.1 °C; (20)Enthalpy of Vaporization: 45.06 kJ/mol; (21)Boiling Point: 196.7 °C at 760 mmHg; (22)Vapour Pressure: 0.28 mmHg at 25°C.

Preparation: this chemical can be prepared by benzene-1,2-diol and difluoro-fluorosulfonyl-acetic acid. This reaction will need solvent acetonitrile. The reaction time is 6 hour(s) with reaction temperature of 60 ℃. The yield is about 53%.

When you are using this chemical, please be cautious about it as the following:
The Phenol,2-(difluoromethoxy)- is toxic by inhalation, in contact with skin and if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)Oc1ccccc1O
(2)InChI: InChI=1/C7H6F2O2/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7,10H
(3)InChIKey: PVNTURWWDZNXTK-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H6F2O2/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7,10H
(5)Std. InChIKey: PVNTURWWDZNXTK-UHFFFAOYSA-N