calcium dihydrate sulfate

• ChemBase ID: 130865
• Molecular Formular: CaH4O6S
• Molecular Mass: 172.17116
• Monoisotopic Mass: 171.93544983
• SMILES: O.O.[O-]S(=O)(=O)[O-].[Ca+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].O.O.[Ca+2]
• InChI: InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
• InChIKey: PASHVRUKOFIRIK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dihydrate sulfate
• IUPAC Traditional name: calcium dihydrate sulfate
• Synonyms: Calcium sulfate dihydrate, ACS; Calcium sulfate dihydrate; 二水硫酸钙, ACS; 二水硫酸钙; 硫酸钙 二水合物

Database IDs

• CAS Number: 10101-41-4
• EC Number: 231-900-3
• MDL Number: MFCD00149625
• Merck Index: 141706
• PubChem SID: 24847421; 24892640; 24855462; 162225143; 24892593; 24858863
• PubChem CID: 24928

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

• Solubility: H2O: soluble0.01 M at 20 °C, clear, colorless
• Apperance: Powder
• Melting Point: 128°C -1.5H{2}O
• Boiling Point: 163°C -2H{2}O
• Density: 2.32
• Absorption Wavelength: λ: 260 nm Amax: 0.015; λ: 280 nm Amax: 0.010
• pH: 5.0-7.5 (25 °C, 0.01 M in H2O)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: EW4150000
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95.0%; ≥98.0%; ≥99%; ≥99.0% (KT); 98%; 98.0-102.0%; 98.0-102.0% (ACS specification); 99%; 99.0-101.0% (based on anhydrous substance)
• Grade: ACS reagent; JIS special grade; puriss.; puriss. p.a.; ReagentPlus®; SAJ first grade
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.001% total nitrogen (N); ≤0.002% heavy metals (as Pb); ≤0.005% P; ≤0.02% insol. dil. HCl; ≤0.02% insoluble in HCl; ≤0.02% Insoluble matter; insoluble matter, passes filter test; residual solvents, in accordance
• Cation Traces: Al: ≤0.0005%; As: ≤0.1 mg/kg; As: ≤3 mg/kg; Ba: ≤5 mg/kg; Bi: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.001%; Fe: ≤10 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.002%; Hg: ≤10 mg/kg; K: ≤0.005%; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.02%; Mg: ≤200 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤0.02%; Na: ≤100 mg/kg; Na: ≤200 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤20 mg/kg; Pb: ≤5 mg/kg; Se: ≤30 mg/kg; Sr: ≤0.05%; Sr: ≤200 mg/kg; Sr: ≤500 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• Antion Traces: carbonate (CO32-): in accordance; carbonate (CO32-): passes test; chloride (Cl-): ≤0.005%; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤50 mg/kg; fluoride (F-): ≤30 mg/kg; nitrate (NO3-): ≤0.005%; nitrate (NO3-): ≤50 mg/kg; nitrate (NO3-): in accordance
• Loss on Drying: 19.0-23.0% loss on drying, 250 °C
• Quality: meets analytical specification of NF, E 516
• λ: 0.01 M in H2O
• Product Line: BioUltra
• Linear Formula: CaSO4 · 2H2O

DETAILS

Sigma Aldrich - C3771

包装
1 kg in poly bottle
500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 255548

Packaging
1 kg in poly bottle
100, 500 g in poly bottle