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| CAS No.: | 438049-36-6 |
|---|---|
| Name: | Benzenemethanol, 2,6-difluoro-4-hydroxy- (9CI) |
| Molecular Structure: | |
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| Formula: | C7H6F2O2 |
| Molecular Weight: | 160.1181464 |
| Synonyms: | 2,6-Difluoro-4-hydroxybenzyl alcohol; |
| Density: | 1.454 g/cm3 |
| Boiling Point: | 286.004 °C at 760 mmHg |
| Flash Point: | 771 °C |
| PSA: | 40.46000 |
| LogP: | 1.16270 |
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Specification
The Benzenemethanol, 2, 6-difluoro-4-hydroxy-, with the CAS registry number 438049-36-6, is also known as 2, 6-Difluoro-4-hydroxybenzyl alcohol. It belongs to the product categories of Halide; Alcohol. This chemical's molecular formula is C7H6F2O2 and molecular weight is 160.1181464. What's more, its systematic name is 3, 5-Difluoro-4-(hydroxymethyl)phenol.
Physical properties about Benzenemethanol, 2, 6-difluoro-4-hydroxy- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 111; (8)ACD/KOC (pH 7.4): 81; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 34.573 cm3; (15)Molar Volume: 110.099 cm3; (16)Polarizability: 13.706×10-24 cm3; (17)Surface Tension: 48.186 dyne/cm; (18)Density: 1.454 g/cm3; (19)Flash Point: 126.771 °C; (20)Enthalpy of Vaporization: 55.458 kJ/mol; (21)Boiling Point: 286.004 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(O)cc(F)c1CO
(2) InChI: InChI=1/C7H6F2O2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,10-11H,3H2
(3) InChIKey: RQMJWCOEDWMJLS-UHFFFAOYAS