sodium hydrate hydroxymethanesulfinate

• ChemBase ID: 152625
• Molecular Formular: CH5NaO4S
• Molecular Mass: 136.10277
• Monoisotopic Mass: 135.98062392
• SMILES: C(O)S(=O)[O-].O.[Na+]
• Canonical SMILES: [O-]S(=O)CO.O.[Na+]
• InChI: InChI=1S/CH4O3S.Na.H2O/c2-1-5(3)4;;/h2H,1H2,(H,3,4);;1H2/q;+1;/p-1
• InChIKey: ZKODLPLYXXUCHB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrate hydroxymethanesulfinate
• IUPAC Traditional name: sodium hydrate hydroxymethanesulfinate
• Synonyms: Rongalit®; Hydroxymethanesulfinic acid sodium salt; Sodium formaldehyde sulfoxylate hydrate; Sodium hydroxymethanesulfinate hydrate; Sodium hydroxymethanesulfinate hydrate; Rongalit® dihydrate; 甲醛合次硫酸钠 水合物; 羟基甲烷亚磺酸 钠盐; 甲醛次硫酸钠 水合物; Rongalit® dihydrate

Database IDs

• CAS Number: 149-44-0
• EC Number: 205-739-4
• MDL Number: MFCD00150599
• Beilstein Number: 3630814
• PubChem SID: 162246769; 24886220
• PubChem CID: 23712042

CALCULATED PROPERTIES

• Acid pKa: 2.0
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1800313
• LogD (pH = 7.4): -3.2040846
• Log P: -0.9406
• Molar Refractivity: 15.6269 cm^3
• Polarizability: 7.354944 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL, clear, colorless
• Melting Point: ~120 °C (dec.)
• Flash Point: >100 °C; >212 °F
• pH: 9.5-10.5

Safety Information

• RTECS: PB0380000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 31-68
• Safety Statements: 36/37
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H341
• GHS Precautionary statements: P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves
• Supplemental Hazard Statements: Contact with acids liberates toxic gas.

Product Information

• Purity: ≥98.0% (RT); 96.0-103.0%
• Grade: CP; SAJ first grade
• Linear Formula: HOCH2SO2Na·xH2O

DETAILS

Sigma Aldrich - 71530

Packaging
1, 5 kg in poly bottle
250 g in poly bottle
Legal Information
Rongalit is a registered trademark of BASF SE

Sigma Aldrich - 27-0519

Legal Information
Rongalit is a registered trademark of BASF SE

Sigma Aldrich - 27-0520

Legal Information
Rongalit is a registered trademark of BASF SE