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CAS No.: | 124728-90-1 |
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Name: | 2,3-DIFLUORO-HYDROQUINONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H4F2O2 |
Molecular Weight: | 146.093 |
Synonyms: | 2,3-Difluorobenzene-1,4-diol;2,3-Difluoro-4-hydroxyphenol;2,3-difluorobenzene-1,4-diol; |
Density: | 1.542 g/cm3 |
Melting Point: | 124-126℃ |
Boiling Point: | 247.913 °C at 760 mmHg |
Flash Point: | 103.735 °C |
Appearance: | Pink Crystal |
PSA: | 40.46000 |
LogP: | 1.37600 |
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The 1,4-Benzenediol,2,3-difluoro-, with the CAS registry number 124728-90-1, has the systematic name of 2,3-difluorobenzene-1,4-diol. It is a kind of pink crystal, and belongs to the product category of Halide. The molecular formula of the chemical is C6H4F2O2.
The characteristics of 1,4-Benzenediol,2,3-difluoro- are as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 227; (8)ACD/KOC (pH 7.4): 193; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 30.004 cm3; (15)Molar Volume: 94.713 cm3; (16)Polarizability: 11.894×10-24cm3; (17)Surface Tension: 49.758 dyne/cm; (18)Density: 1.542 g/cm3; (19)Flash Point: 103.735 °C; (20)Enthalpy of Vaporization: 50.472 kJ/mol; (21)Boiling Point: 247.913 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(O)ccc(O)c1F
(2)InChI: InChI=1/C6H4F2O2/c7-5-3(9)1-2-4(10)6(5)8/h1-2,9-10H
(3)InChIKey: QLKWZXXUWUOXCH-UHFFFAOYAR