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2,3,5,6-Tetrafluorophenole potassium salt

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Name

2,3,5,6-Tetrafluorophenole potassium salt

EINECS
CAS No. 42289-34-9 Density
Solubility Melting Point
Formula C6HF4KO Boiling Point 140.2 °C at 760 mmHg
Molecular Weight 203.96 Flash Point 79.4 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 42289-34-9 (Phenol,2,3,5,6-tetrafluoro-, potassium salt (1:1)) Hazard Symbols
Synonyms

Phenol,2,3,5,6-tetrafluoro-, potassium salt (9CI);

 

2,3,5,6-Tetrafluorophenole potassium salt Specification

The 2,3,5,6-Tetrafluorophenole potassium salt, with the cas registry number of 42289-34-9, is also known as Potassium 2,3,5,6-tetrafluorophenyl oxide. This chemical's molecular formula is C6HF4KO and formula weight is 204.16. What's more, its systematic name is called Potassium 2,3,5,6-tetrafluorophenolate.

Physical properties about this chemical are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 42.04; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 409.18; (8)ACD/KOC (pH 7.4): 10.29; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.06 Å2; (13)Flash Point: 79.4 °C; (14)Enthalpy of Vaporization: 39.3 kJ/mol; (15)Boiling Point: 140.2 °C at 760 mmHg; (16)Vapour Pressure: 4.97 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].Fc1cc(F)c(F)c([O-])c1F;
(2)InChI: InChI=1/C6H2F4O.K/c7-2-1-3(8)5(10)6(11)4(2)9;/h1,11H;/q;+1/p-1;
(3)InChIKey: ISDZZAZYUPHOFG-REWHXWOFAC;
(4)Std. InChI: InChI=1S/C6H2F4O.K/c7-2-1-3(8)5(10)6(11)4(2)9;/h1,11H;/q;+1/p-1;
(5)Std. InChIKey: ISDZZAZYUPHOFG-UHFFFAOYSA-M.

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