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Name |
Phenol,2-chloro-3,5,6-trifluoro- |
EINECS | N/A |
CAS No. | 121555-66-6 | Density | 1.623 g/cm3 |
PSA | 20.23000 | LogP | 2.46290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H2ClF3O | Boiling Point | 174.3 °C at 760 mmHg |
Molecular Weight | 182.53 | Flash Point | 59.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-3,5,6-trifluorophenol;6-Chloro-2,3,5-trifluorophenol; |
The Phenol,2-chloro-3,5,6-trifluoro-, with the CAS registry number 121555-66-6, is also known as 6-Chloro-2,3,5-trifluorophenol. This chemical's molecular formula is C6H2ClF3O and molecular weight is 182.53. What's more, its systematic name is 2-Chloro-3,5,6-trifluorophenol and it belongs to the product category of Phenol &Thiophenol &Mercaptan.
Physical properties of Phenol,2-chloro-3,5,6-trifluoro- are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 27.94; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 281.4; (8)ACD/KOC (pH 7.4): 6.01; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 33.01 cm3; (15)Molar Volume: 112.4 cm3; (16)Polarizability: 13.08×10-24 cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.623 g/cm3; (19)Flash Point: 59.2 °C; (20)Enthalpy of Vaporization: 42.76 kJ/mol; (21)Boiling Point: 174.3 °C at 760 mmHg; (22)Vapour Pressure: 0.904 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)cc(F)c(Cl)c1O
(2)InChI: InChI=1/C6H2ClF3O/c7-4-2(8)1-3(9)5(10)6(4)11/h1,11H
(3)InChIKey: BFXFEVCTOKPZSD-UHFFFAOYSA-N