dipotassium benzene-1,2-disulfonate

• ChemBase ID: 149255
• Molecular Formular: C6H4K2O6S2
• Molecular Mass: 314.41896
• Monoisotopic Mass: 313.87234321
• SMILES: c1ccc(c(c1)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
• Canonical SMILES: [O-]S(=O)(=O)c1ccccc1S(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C6H6O6S2.2K/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
• InChIKey: WUERIJJOLNKVMO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium benzene-1,2-disulfonate
• IUPAC Traditional name: dipotassium benzene-1,2-disulfonate
• Synonyms: Benzene-1,2-disulfonic acid dipotassium salt; Potassium benzene-1,2-disulfonate; 苯-1,2-二磺酸 二钾盐; 苯-1,2-二磺酸钾

Database IDs

• CAS Number: 5710-54-3
• EC Number: 227-199-9
• MDL Number: MFCD00007477
• Beilstein Number: 6552908
• PubChem SID: 24891687; 162243423
• PubChem CID: 6097177

CALCULATED PROPERTIES

• Acid pKa: -3.2974763
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -4.417737
• LogD (pH = 7.4): -4.4177384
• Log P: 0.33505926
• Molar Refractivity: 45.0596 cm^3
• Polarizability: 19.59482 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥300 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: C6H4(SO3K)2

DETAILS

Sigma Aldrich - B3159

Packaging
10 g in poly bottle