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CAS No.: | 704884-76-4 |
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Name: | 4,5-Difluoro-2-methylphenol |
Molecular Structure: | |
Formula: | C7H6F2O |
Molecular Weight: | 144.121 |
Synonyms: | phenol, 4,5-difluoro-2-methyl- |
Density: | 1.28 g/cm3 |
Boiling Point: | 209.584 °C at 760 mmHg |
Flash Point: | 80.554 °C |
PSA: | 20.23000 |
LogP: | 1.97880 |
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The Phenol,4,5-difluoro-2-methyl- is an organic compound with the formula C7H6F2O. With the CAS registry number 704884-76-4, the systematic name of this chemical is 4,5-difluoro-2-methylphenol.
Physical properties about Phenol,4,5-difluoro-2-methyl- are: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 55; (5)ACD/BCF (pH 7.4): 54; (6)ACD/KOC (pH 5.5): 609; (7)ACD/KOC (pH 7.4): 603; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 32.947 cm3; (14)Molar Volume: 112.558 cm3; (15)Polarizability: 13.061×10-24cm3; (16)Surface Tension: 35.208 dyne/cm; (17)Density: 1.28 g/cm3; (18)Flash Point: 80.554 °C; (19)Enthalpy of Vaporization: 46.405 kJ/mol; (20)Boiling Point: 209.584 °C at 760 mmHg; (21)Vapour Pressure: 0.139 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C)c(O)cc1F
(2)InChI: InChI=1/C7H6F2O/c1-4-2-5(8)6(9)3-7(4)10/h2-3,10H,1H3
(3)InChIKey: IPSPOLUTNBCTIM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H6F2O/c1-4-2-5(8)6(9)3-7(4)10/h2-3,10H,1H3
(5)Std. InChIKey: IPSPOLUTNBCTIM-UHFFFAOYSA-N