sodium hydrate hydrogen sulfate

• ChemBase ID: 156690
• Molecular Formular: H3NaO5S
• Molecular Mass: 138.07559
• Monoisotopic Mass: 137.95988848
• SMILES: O.OS(=O)(=O)[O-].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)O.O.[Na+]
• InChI: InChI=1S/Na.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+1;;/p-1
• InChIKey: JXHZRQHZVYDRGX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrate hydrogen sulfate
• IUPAC Traditional name: sodium hydrate hydrogensulfate
• Synonyms: Sodium bisulfate monohydrate; Sodium hydrogen sulfate monohydrate, Reagent Grade; Sodium hydrogen sulfate monohydrate; Sodium bisulfate monohydrate; 硫酸氢钠一水合物, 试剂级; 酸式硫酸钠 一水合物; 硫酸氢钠 一水合物

Database IDs

• CAS Number: 10034-88-5
• EC Number: 231-665-7
• MDL Number: MFCD00149210
• Merck Index: 148586
• PubChem SID: 162250827; 24854006; 24886244
• PubChem CID: 23673662

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 12.6491 cm^3
• Polarizability: 6.158906 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: ca 183°C dec.
• Absorption Wavelength: λ: 260 nm Amax: 0.01; λ: 280 nm Amax: 0.01
• pH: <1.0 (25 °C, 1 M in H2O)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: VZ1860000; VZ1870000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3260; UN3260
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 41
• Safety Statements: 24-26
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P262-P305+P351+P338; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3260 8/PG 3

Product Information

• Purity: ≥98.0% (T); ≥99.0% (T); 99%
• Grade: puriss. p.a.; ReagentPlus®
• Impurities: ≤0.001% total nitrogen (N); 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; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤20 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Tl: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤10 mg/kg; phosphate (PO43-): ≤5 mg/kg
• λ: 1 M in H2O
• Product Line: BioUltra
• Linear Formula: NaHSO4 · H2O

DETAILS

Sigma Aldrich - 71657

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

Sigma Aldrich - 233714

Packaging
1 kg in glass bottle
100, 500 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC