chromium(3+) ion potassium dodecahydrate disulfate

• ChemBase ID: 158523
• Molecular Formular: CrH24KO20S2
• Molecular Mass: 499.40296
• Monoisotopic Mass: 498.93444935
• SMILES: O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[K+].[Cr+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.[K+].[Cr+3]
• InChI: InChI=1S/Cr.K.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H2,1,2,3,4);12*1H2/q+3;+1;;;;;;;;;;;;;;/p-4
• InChIKey: ZFVHBEKVAITXHW-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion potassium dodecahydrate disulfate
• IUPAC Traditional name: chromium(3+) ion potassium dodecahydrate disulfate
• Synonyms: Chrome alum; Potassium chromium(III) sulfate dodecahydrate; Chromium(III) potassium sulfate dodecahydrate; 硫酸钾铬(III) 十二水合物; 铬明矾; 硫酸铬(III)钾 十二水合物

Database IDs

• CAS Number: 7788-99-0
• EC Number: 233-401-6
• MDL Number: MFCD00149917
• PubChem SID: 24881804; 24854611; 24881803; 162252659
• PubChem CID: 24596

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

Physical Property

• Melting Point: 89 °C(lit.)

Safety Information

• RTECS: GB6850000
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0%; ≥98%; ≥98% (iodometric); ≥98.5% (RT); ≥99.0% (RT); 98.0-102.0% (ACS specification)
• Grade: ACS reagent; puriss.; puriss. p.a.; purum p.a.; SAJ first grade
• Impurities: ≤0.01% heavy metals (as Pb); ≤0.01% insolubles
• Cation Traces: Al: ≤0.02%; Al: ≤200 mg/kg; Ca: ≤100 mg/kg; Ca: ≤500 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cu: ≤10 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.01%; Fe: ≤100 mg/kg; Fe: ≤200 mg/kg; Fe: ≤300 mg/kg; heavy metals (as Pb): ≤0.01%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤1000 mg/kg; Na: ≤500 mg/kg; NH4+: ≤0.01%; NH4+: ≤100 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤10 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.002%; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤200 mg/kg; chloride (Cl-): ≤50 mg/kg
• Linear Formula: CrK(SO4)2 · 12H2O

DETAILS

Sigma Aldrich - 60151

Packaging
500 g in poly bottle

Sigma Aldrich - 243361

Packaging
100, 500 g in poly bottle
5 g in glass bottle