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CAS No.: | 153877-56-6 |
---|---|
Name: | 1-(3,5-DIFLUOROPHENYL)ETHANOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C13H10F2O |
Molecular Weight: | 220.219 |
Synonyms: | 3,5-Difluorobenzhydrol; |
Density: | 1.254 g/cm3 |
Boiling Point: | 307.3 °C at 760 mmHg |
Flash Point: | 139.6 °C |
PSA: | 20.23000 |
LogP: | 2.01810 |
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The Benzenemethanol,3,5-difluoro-α-phenyl-, with the CAS registry number 153877-56-6, is also known as 3,5-Difluorobenzhydrol. This chemical's molecular formula is C13H10F2O and molecular weight is 220.2147. Its systematic name is called (3,5-difluorophenyl)(phenyl)methanol.
Physical properties of Benzenemethanol,3,5-difluoro-α-phenyl-: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.88; (3)ACD/LogD (pH 7.4): 2.88; (4)ACD/BCF (pH 5.5): 91.3; (5)ACD/BCF (pH 7.4): 91.3; (6)ACD/KOC (pH 5.5): 880.85; (7)ACD/KOC (pH 7.4): 880.85; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 57.09 cm3; (13)Molar Volume: 175.5 cm3; (14)Surface Tension: 42.4 dyne/cm; (15)Density: 1.254 g/cm3; (16)Flash Point: 139.6 °C; (17)Enthalpy of Vaporization: 57.85 kJ/mol; (18)Boiling Point: 307.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000318 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)C(O)c2ccccc2
(2)InChI: InChI=1/C13H10F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8,13,16H
(3)InChIKey: MZBBRGLZQRMJPL-UHFFFAOYAB