Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | T | |
Synonyms |
4-(Difluoromethoxy)phenol; |
Article Data | 4 |
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