Molecule structure of Potassium 2,5-dihydroxybenzenesulfonate (CAS NO.21799-87-1):
IUPAC Name: Potassium 2,5-dihydroxybenzenesulfonate
Molecular Weight: 228.2642 [g/mol]
Molecular Formula: C6H5KO5S
Melting Point: 251 °C (dec.)(lit.)
Water Solubility: soluble
Stability: stable. incompatible with bases, oxidizing agents.
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Tautomer Count: 7
Exact Mass: 227.949476
MonoIsotopic Mass: 227.949476
Topological Polar Surface Area: 97.7
Heavy Atom Count: 13
Canonical SMILES: C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+]
InChI: InChI=1S/C6H6O5S.K/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);/q;+1/p-1
InChIKey: VKDSBABHIXQFKH-UHFFFAOYSA-M
EINECS: 244-584-7
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany :2
HS Code: 29082000
Potassium 2,5-dihydroxybenzenesulfonate (CAS NO.21799-87-1) is also named as 2,5-Dihydroxybenzenesulfonic acid, monopotassium salt ; Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt ; Benzenesulfonic acid, 2,5-dihydroxy-, potassium salt (1:1) . Potassium 2,5-dihydroxybenzenesulfonate (CAS NO.21799-87-1) is white solid.
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