sulfurous acid diamine hydrate

• ChemBase ID: 158652
• Molecular Formular: H10N2O4S
• Molecular Mass: 134.1554
• Monoisotopic Mass: 134.03612781
• SMILES: N.N.O.OS(=O)O
• Canonical SMILES: OS(=O)O.N.N.O
• InChI: InChI=1S/2H3N.H2O3S.H2O/c;;1-4(2)3;/h2*1H3;(H2,1,2,3);1H2
• InChIKey: ASPXBYAQZVXSNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfurous acid diamine hydrate
• IUPAC Traditional name: sulfurous acid diamine hydrate
• Synonyms: Ammonium sulfite monohydrate; 亚硫酸铵 一水合物

Database IDs

• CAS Number: 7783-11-1
• EC Number: 233-484-9
• MDL Number: MFCD00150959
• PubChem SID: 162252788; 24862044
• PubChem CID: 16212301

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

Physical Property

• Density: 1.41 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 31-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-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: 92%
• Linear Formula: (NH4)2SO3 · H2O

DETAILS

Sigma Aldrich - 358983

Packaging
2.5 kg in poly bottle
500 g in poly bottle