sulfuric acid amine

• ChemBase ID: 137381
• Molecular Formular: H5NO4S
• Molecular Mass: 115.109
• Monoisotopic Mass: 114.99392865
• SMILES: N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.N
• InChI: InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)
• InChIKey: BIGPRXCJEDHCLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfuric acid amine
• IUPAC Traditional name: sulfuric acid amine
• Synonyms: Ammonium hydrogen sulfate; Ammonium bisulfate; Ammonium bisulfate; Ammonium sulfate monobasic; Ammonium hydrogensulfate; 硫酸氢铵; 酸式硫酸铵; 重硫酸铵; 硫酸铵 一元; 重硫酸铵; 硫酸氢铵

Database IDs

• CAS Number: 7803-63-6
• EC Number: 232-265-5
• MDL Number: MFCD00051073
• PubChem SID: 24846466; 162231644; 24846465; 24869087
• PubChem CID: 16211166

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

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless
• Apperance: crystalline
• Melting Point: 121-145 °C(lit.)
• Boiling Point: 350 °C (dec.)(lit.)
• Density: 1.79 g/mL at 25 °C(lit.)
• Absorption Wavelength: λ: 260 nm Amax: 0.045; λ: 280 nm Amax: 0.039

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2506
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2506 8/PG 2

Product Information

• Purity: ≥98.0% (T); ≥99.0% (T); ≥99.5% (T); 98%; 99.99% trace metals basis
• Grade: purum p.a.
• Impurities: insoluble matter, passes filter test
• Cation Traces: Ag: ≤5 mg/kg; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; K: ≤50 mg/kg; K: ≤500 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Tl: ≤5 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤10 mg/kg
• λ: 1 M in H2O
• Product Line: BioUltra
• Linear Formula: (NH4)HSO4

DETAILS

Sigma Aldrich - 455849

Packaging
25, 100 g in poly bottle

Sigma Aldrich - 307602

Packaging
25 g in glass bottle

Sigma Aldrich - 09849

Other Notes
Reagent for the decomposition of basic metal oxides by fusion1,2