sulfate

• ChemBase ID: 156117
• Molecular Formular: O4S--
• Molecular Mass: 96.0626
• Monoisotopic Mass: 95.95172948
• SMILES: [O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-]
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfate
• IUPAC Traditional name: sulfate
• Synonyms: AQUANAL™-plus sulfate (SO4) 50-330 mg/L; AQUANAL™-plus 硫酸盐 (SO4) 50-330mg/L

Database IDs

• MDL Number: MFCD00145343
• Beilstein Number: 3648446
• PubChem SID: 24863328; 24863296; 162250255; 24863363
• PubChem CID: 1117

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20/22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Grade: check solution for 37429 (calibrated standard (SO4 = 11 mg/mL))
• Usage: sufficient for 100 tests
• Measuring range: 50-330 mg/L, (color chart); 50-400 mg/L, (photometric, Spectro 3)

DETAILS

Sigma Aldrich - 37469

Analysis Note
also for photometric evaluation
Legal Information
AQUANAL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 37429

Analysis Note
MethodForming of a red-violet colored chloroanilate complexGradation (color chart)0 - 50 - 80 - 110 - 140 - 180 - 240 - 330 mg/L (SO42-)
Legal Information
AQUANAL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 37509

Legal Information
AQUANAL is a trademark of Sigma-Aldrich Co. LLC