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Phenol,2-chloro-3,5,6-trifluoro-

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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 Molecular Structure of 121555-66-6 (2-CHLORO-3,5,6-TRIFLUOROPHENOL) Hazard Symbols N/A
Synonyms

2-Chloro-3,5,6-trifluorophenol;6-Chloro-2,3,5-trifluorophenol;

 

Phenol,2-chloro-3,5,6-trifluoro- Specification

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

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