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CAS No.: | 17274-17-8 |
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Name: | 3,5-Diiodosalicylic acid potassium salt |
Molecular Structure: | |
Formula: | C7H4I2KO3 |
Molecular Weight: | 428.01 |
Synonyms: | Benzoicacid, 2-hydroxy-3,5-diiodo-, monosodium salt (9CI);Salicylic acid,3,5-diiodo-, monosodium salt (8CI);Sodium 3,5-diiodosalicylate; |
Density: | 2.697 g/cm3 |
Boiling Point: | 380.8 °C at 760 mmHg |
Flash Point: | 184.1 °C |
PSA: | 60.36000 |
LogP: | 0.96490 |
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The 3,5-Diiodosalicylic acid potassium salt, with the CAS registry number 17274-17-8, is also known as Salicylic acid, 3,5-diiodo-, monosodium salt. This chemical's molecular formula is C7H4I2KO3 and molecular weight is 411.89563. Its IUPAC name is called sodium 2-hydroxy-3,5-diiodobenzoate.
Physical properties of 3,5-Diiodosalicylic acid potassium salt: (1)ACD/LogP: 4.56; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 1.29; (5)ACD/BCF (pH 7.4): 1.22; (6)ACD/KOC (pH 5.5): 5.39; (7)ACD/KOC (pH 7.4): 5.1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 184.1 °C; (12)Enthalpy of Vaporization: 66.35 kJ/mol; (13)Boiling Point: 380.8 °C at 760 mmHg; (14)Vapour Pressure: 1.77E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1I)O)C(=O)[O-])I.[Na+]
(2)InChI: InChI=1S/C7H4I2O3.Na/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1
(3)InChIKey: PBMNRTLTNHTZRR-UHFFFAOYSA-M