disodium sulfinatosulfonate

• ChemBase ID: 129535
• Molecular Formular: Na2O5S2
• Molecular Mass: 190.10654
• Monoisotopic Mass: 189.89825366
• SMILES: [O-]S(=O)S(=O)(=O)[O-].[Na+].[Na+]
• Canonical SMILES: [O-]S(=O)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/2Na.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2
• InChIKey: HRZFUMHJMZEROT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium sulfinatosulfonate
• IUPAC Traditional name: disodium metabisulfite
• Synonyms: Sodium pyrosulfite; Sodium disulfite; Sodium metabisulfite; Natrii metabisulfis; Sodium sulfite; Sodium metabisulfite, SO; Sodium metabisulfite; Sodium metabisulfite, ACS; 一缩二亚硫酸钠; 58.5% min; 偏二亚硫酸钠; 焦亚磷酸钠; 偏重亚硫酸钠; 偏亚硫酸氢钠, ACS

Database IDs

• CAS Number: 7681-57-4
• EC Number: 231-673-0
• MDL Number: MFCD00167602
• Merck Index: 148638
• PubChem SID: 24899821; 24848168; 24855463; 24858961; 162223827; 24849936
• PubChem CID: 656671
• Wikipedia Title: Sodium_metabisulfite

CALCULATED PROPERTIES

• Acid pKa: -2.7217357
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -6.1587806
• LogD (pH = 7.4): -6.185216
• Log P: -1.5739199
• Molar Refractivity: 18.7261 cm^3
• Polarizability: 9.72111 Å^3
• Polar Surface Area: 97.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 54 g/100 mL (20 °C) ; 81.7 g/100 mL (100 °C) in water; Freely soluble in water, glycerol. Slightly soluble in alcohol; very soluble in glycerol ; soluble in ethanol
• Apperance: Crystalline powder; Granular; white to yellow powder
• Melting Point: >170 °C (begins at 150 °C); >300 °C(lit.); >300°C
• Density: 1.48 g/cm^3; 1.480
• Odor: faint SO₂
• pH: 3.5-5.0 (20 °C, 5%)

Safety Information

• RTECS: UX8225000
• European Hazard Symbols: Harmful (Xn); Irritant (Xi); X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-31-41; R22 R31 R41
• Safety Statements: 26-39-46; S2 S26 S39 S46
• TSCA Listed: 是
• EU Index: 016-063-00-2
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  0

  2

  1
• GHS Hazard statements: H302-H318; H318-H302
• GHS Precautionary statements: P280-P264-P305+P351+P338-P310-P301+P312-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Supplemental Hazard Statements: Contact with acids liberates toxic gas.

Product Information

• Purity: ≥95% (RT); ≥95.0%; ≥97.0%; ≥99%; 65.0-67.4% SO2 basis; 97%; 97% min; 97-100.5%; 98-100.5%
• Grade: ACS reagent; ACS reagent, reag. Ph. Eur.; JIS first grade; Ph Eur; puriss.; puriss. p.a.; purum p.a.; reagent grade; SAJ special grade
• Suitability: complies for appearance of solution
• Impurities: ≤0.005% insolubles; ≤0.01% thiosulfate (S2O3); ≤0.02% thiosulfate (S2O3); residue of solvents, complies
• Cation Traces: As: ≤0.5 mg/kg; As: ≤2 mg/kg; Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤10 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.002%; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.001%; Hg: ≤1 mg/kg; K: ≤100 mg/kg; K: ≤200 mg/kg; Ni: ≤50 mg/kg; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Se: ≤5 mg/kg; Zn: ≤10 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.05%; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤50 mg/kg; thiosulfate (S2O32-): ≤0.05%
• Quality: dry; meets analytical specification of Ph. Eur., BP, NF, FCC, E223
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Linear Formula: Na2S2O5

DETAILS

Sigma Aldrich - 255556

Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle

Sigma Aldrich - S9000

Other Notes
固体时，本品为焦亚硫酸钠 (Na2S2O5)。溶于水时，得到 NaHSO3。
包装
1 kg in poly bottle
5 kg in poly drum
500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 161519

Packaging
2.5 kg in poly bottle
500 g in poly bottle