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CAS No.: | 68938-81-8 |
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Name: | potassium 2,5-dichlorophenolate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H4Cl2KO |
Molecular Weight: | 201.094 |
Synonyms: | Phenol,2,5-dichloro-, potassium salt (9CI);2,5-Dichlorophenol potassium salt;Potassium 2,5-dichlorophenolate; |
EINECS: | 273-147-3 |
Density: | 1.458 g/cm3 |
Melting Point: | 59-60 °C |
Boiling Point: | 214.6 °C at 760 mmHg |
Flash Point: | 100 °C |
PSA: | 23.06000 |
LogP: | 3.13720 |
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The Phenol, 2,5-dichloro-,potassium salt (1:1), with the CAS registry number 68938-81-8, is also known as 2,5-Dichlorophenol potassium salt. This chemical's molecular formula is C6H4Cl2KO and molecular weight is 201.09. What's more, its systematic name is Potassium 2,5-dichlorophenolate and its EINECS number is 273-147-3.
Physical properties of Phenol, 2,5-dichloro-,potassium salt (1:1) are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 90.56; (6)ACD/BCF (pH 7.4): 52.53; (7)ACD/KOC (pH 5.5): 873.47; (8)ACD/KOC (pH 7.4): 506.65; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Flash Point: 100 °C; (14)Enthalpy of Vaporization: 46.93 kJ/mol; (15)Boiling Point: 214.6 °C at 760 mmHg; (16)Vapour Pressure: 0.106 mmHg at 25°C; (17)Heavy Atom Count: 10; (18)Complexity: 102; (19)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)[O-])Cl.[K+]
(2)InChI: InChI=1S/C6H4Cl2O.K/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;/q;+1/p-1
(3)InChIKey: OKTIHTLOYFRBTK-UHFFFAOYSA-M