sodium hydroxymethanesulfonate

• ChemBase ID: 148437
• Molecular Formular: CH3NaO4S
• Molecular Mass: 134.08689
• Monoisotopic Mass: 133.96497386
• SMILES: C(O)S(=O)(=O)[O-].[Na+]
• Canonical SMILES: OCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/CH4O4S.Na/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
• InChIKey: UOULCEYHQNCFFH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydroxymethanesulfonate
• IUPAC Traditional name: sodium hydroxymethanesulfonate
• Synonyms: Sodium formaldehyde bisulfite; Formaldehyde-sodium bisulfite adduct; Sodium hydroxymethanesulfonate; Formaldehyde sodium bisulfite; 甲醛次硫酸氢钠; 甲醛-次硫酸氢钠加合物; 羟甲基磺酰钠

Database IDs

• CAS Number: 870-72-4
• EC Number: 212-800-9
• MDL Number: MFCD00044664
• Merck Index: 144236
• PubChem SID: 24847109; 162242613
• PubChem CID: 2723822

CALCULATED PROPERTIES

• Acid pKa: -1.851107
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.9179895
• LogD (pH = 7.4): -3.9179952
• Log P: -1.5415953
• Molar Refractivity: 17.0698 cm^3
• Polarizability: 8.046405 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 °C (dec.)(lit.); 200°C dec.

Safety Information

• Storage Warning: Hygroscopic
• RTECS: PB2200000
• German water hazard class: 3
• TSCA Listed: 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%
• Linear Formula: HOCH2SO3Na

DETAILS

Sigma Aldrich - 112704

Packaging
100 g in poly bottle
5 kg in poly drum
2 kg in poly bottle
5 g in glass bottle