sulfurous acid diamine

• ChemBase ID: 158771
• Molecular Formular: H8N2O3S
• Molecular Mass: 116.14012
• Monoisotopic Mass: 116.02556313
• SMILES: N.N.OS(=O)O
• Canonical SMILES: OS(=O)O.N.N
• InChI: InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)
• InChIKey: PQUCIEFHOVEZAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfurous acid diamine
• IUPAC Traditional name: sulfurous acid diamine
• Synonyms: Ammonium sulfite solution; 亚硫酸铵 溶液

Database IDs

• CAS Number: 17026-44-7
• MDL Number: MFCD00066094
• PubChem SID: 24847082; 162252907
• PubChem CID: 16211200

CALCULATED PROPERTIES

• Acid pKa: 1.69897
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4536884
• LogD (pH = 7.4): -3.810975
• Log P: -1.1546873
• Molar Refractivity: 12.3279 cm^3
• Polarizability: 5.564832 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 31-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Supplemental Hazard Statements: Contact with acids liberates toxic gas.

Product Information

• Purity: 34%
• Concentration: ~34% in H2O
• Grade: technical
• Linear Formula: (NH4)2SO3

DETAILS

Sigma Aldrich - 11229

Packaging
2.5 L in glass bottle