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CAS No.: | 88798-13-4 |
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Name: | 3-(DIFLUOROMETHOXY)PHENOL |
Molecular Structure: | |
Formula: | C7H6F2O2 |
Molecular Weight: | 160.12 |
Synonyms: | 3-(Difluoromethoxy)phenol; |
Density: | 1.3 g/cm3 |
Boiling Point: | 223.9 °C at 760 mmHg |
Flash Point: | 111 °C |
Hazard Symbols: | T |
Risk Codes: | 23/24/25 |
Safety: | 45 |
PSA: | 29.46000 |
LogP: | 1.99360 |
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The 3-(Difluoromethoxy)phenol is an organic compound with the formula C7H6F2O2. The systematic name of this chemical is 3-(difluoromethoxy)phenol. With the CAS registry number 88798-13-4, it is also named as phenol, 3-(difluoromethoxy)-.
Physical properties about 3-(Difluoromethoxy)phenol are: (1)ACD/LogP: 1.70; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.43; (5)ACD/BCF (pH 7.4): 11.2; (6)ACD/KOC (pH 5.5): 199.05; (7)ACD/KOC (pH 7.4): 195.1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.481; (13)Molar Refractivity: 35.09 cm3; (14)Molar Volume: 123.1 cm3; (15)Polarizability: 13.91×10-24cm3; (16)Surface Tension: 33 dyne/cm; (17)Density: 1.3 g/cm3; (18)Flash Point: 111 °C; (19)Enthalpy of Vaporization: 47.91 kJ/mol; (20)Boiling Point: 223.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0629 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It 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 where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)Oc1cccc(O)c1
(2)InChI: InChI=1/C7H6F2O2/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7,10H
(3)InChIKey: NETVQEPAYWXLPM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H6F2O2/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7,10H
(5)Std. InChIKey: NETVQEPAYWXLPM-UHFFFAOYSA-N