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CAS No.: | 63418-08-6 |
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Name: | 2,6-DICHLORO-3,5-DIFLUOROPHENOL |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H2Cl2F2O |
Molecular Weight: | 198.984 |
Synonyms: | 2,6-Dichloro-3,5-difluorophenol; |
Density: | 1.655 g/cm3 |
Melting Point: | 47-50 °C |
Boiling Point: | 210.2 °C at 760 mmHg |
Flash Point: | 80.9 °C |
Hazard Symbols: | C,Xi |
PSA: | 20.23000 |
LogP: | 2.97720 |
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The Phenol,2,6-dichloro-3,5-difluoro- has the CAS registry number 63418-08-6. This chemical's molecular formula is C6H2Cl2F2O and molecular weight is 198.98. What's more, its systematic name is 2,6-Dichloro-3,5-difluorophenol and it belongs to the product category of Phenol &Thiophenol &Mercaptan.
Physical properties of Phenol,2,6-dichloro-3,5-difluoro- are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 89.85; (6)ACD/BCF (pH 7.4): 1.75; (7)ACD/KOC (pH 5.5): 588.99; (8)ACD/KOC (pH 7.4): 11.5; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 37.91 cm3; (15)Molar Volume: 120.1 cm3; (16)Polarizability: 15.02×10-24 cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.655 g/cm3; (19)Flash Point: 80.9 °C; (20)Enthalpy of Vaporization: 46.46 kJ/mol; (21)Boiling Point: 210.2 °C at 760 mmHg; (22)Vapour Pressure: 0.135 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=C(C(=C1F)Cl)O)Cl)F
(2)InChI: InChI=1S/C6H2Cl2F2O/c7-4-2(9)1-3(10)5(8)6(4)11/h1,11H
(3)InChIKey: RBVUEUWRQAOTDL-UHFFFAOYSA-N