(2H2)sulfuric acid

• ChemBase ID: 132099
• Molecular Formular: H2O4S
• Molecular Mass: 98.07848
• Monoisotopic Mass: 97.96737954
• SMILES: OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₂)sulfuric acid; sulfuric acid
• IUPAC Traditional name: (^2H₂)sulfuric acid; sulfuric acid
• Synonyms: Dideuterosulfuric acid solution; Sulfuric acid, Deuterated; Deuterosulfuric acid; Sulfuric acid-d2 solution; 氘代硫酸; 硫酸-d2 溶液; 二氘代硫酸 溶液

Database IDs

• CAS Number: 13813-19-9
• EC Number: 237-464-0
• MDL Number: MFCD00003542
• PubChem SID: 162226376; 24850601
• PubChem CID: 160992

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 290°C
• Density: 1.86
• Refractive Index: 1.4175; n20/D 1.4175
• Mass Shift: M+2

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 1830; UN1830
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 35
• Safety Statements: 26-30-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• RID/ADR: UN 1830 8/PG 2

Product Information

• Purity: 96% min in D2O, 99.5% (Isotopic)
• Concentration: 96-98 wt. % in D2O; 98% in D2O
• Isotopic Purity: 99.5 atom % D
• Mol. Weight: mol wt 100.08 by atom % calculation
• Linear Formula: D2SO4/D2O

DETAILS

Sigma Aldrich - 176796

Packaging
10, 25, 50, 100 g in glass bottle