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4-(Difluoromethoxy)phenol

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Name

4-(Difluoromethoxy)phenol

EINECS N/A
CAS No. 87789-47-7 Density 1.3 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C7H6F2O2 Boiling Point 225.2 °C at 760 mmHg
Molecular Weight 160.12 Flash Point 111.6 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 87789-47-7 (4-(DIFLUOROMETHOXY)PHENOL) Hazard Symbols ToxicT
Synonyms

4-(Difluoromethoxy)phenol;

Article Data 4

4-(Difluoromethoxy)phenol Specification

The 4-(Difluoromethoxy)phenol, with cas registry number 87789-47-7, has the systematic name of 4-(difluoromethoxy)phenol. And it is also called Phenol, 4-(difluoromethoxy)-. What's more, this chemical 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.)

Physical properties about this chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.97; (6)ACD/BCF (pH 7.4): 7.91; (7)ACD/KOC (pH 5.5): 153.8; (8)ACD/KOC (pH 7.4): 152.67; (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)Enthalpy of Vaporization: 48.05 kJ/mol; (19)Vapour Pressure: 0.0584 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: FC(F)Oc1ccc(O)cc1
(2)InChI: InChI=1/C7H6F2O2/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7,10H
(3)InChIKey: BNHAYQSUBZKWAG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H6F2O2/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7,10H
(5)Std. InChIKey: BNHAYQSUBZKWAG-UHFFFAOYSA-N

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