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3-(Difluoromethoxy)phenol

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Name

3-(Difluoromethoxy)phenol

EINECS N/A
CAS No. 88798-13-4 Density 1.3 g/cm3
PSA 29.46000 LogP 1.99360
Solubility N/A Melting Point N/A
Formula C7H6F2O2 Boiling Point 223.9 °C at 760 mmHg
Molecular Weight 160.12 Flash Point 111 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 88798-13-4 (3-(DIFLUOROMETHOXY)PHENOL) Hazard Symbols ToxicT
Synonyms

3-(Difluoromethoxy)phenol;

 

3-(Difluoromethoxy)phenol Specification

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

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