calcium dihydrate hydrogen phosphate

• ChemBase ID: 131811
• Molecular Formular: CaH5O6P
• Molecular Mass: 172.087861
• Monoisotopic Mass: 171.94496549
• SMILES: O.O.OP(=O)([O-])[O-].[Ca+2]
• Canonical SMILES: [O-]P(=O)(O)[O-].O.O.[Ca+2]
• InChI: InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2
• InChIKey: XAAHAAMILDNBPS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dihydrate hydrogen phosphate
• IUPAC Traditional name: calcium dihydrate hydrogen phosphate
• Synonyms: Calcium phosphate; Calcium phosphate dibasic dihydrate; Calcium hydrogen phosphate dihydrate; Calcium phosphate dibasic dihydrate; Calcium hydrogenphosphate dihydrate; Calcium phosphate, dibasic dihydrate; Calcium orthophosphate dihydrate; Calcium hydrogen phosphate dihydrate; 磷酸钙; 磷酸氢钙 二水合物; 氨化颗粒磷肥 二水合物; 磷酸一氢钙 二水合物; 磷酸钙 二元 二水合物; 磷酸氢钙 二水合物; 磷酸氢钙二水合物

Database IDs

• CAS Number: 7789-77-7; 14567-92-1
• EC Number: 231-826-1
• MDL Number: MFCD00149621
• Merck Index: 141692
• PubChem SID: 162226088; 24858614; 24845697; 24892354
• PubChem CID: 104805

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 12.4085 cm^3
• Polarizability: 5.685633 Å^3
• Polar Surface Area: 83.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Slightly soluble in water. Soluble in dilute hydrochloric, nitric, and acetic acid. Insoluble in alcohol
• Apperance: gel (aged); Powder
• Melting Point: 109°C -H{2}O
• Density: 2.306; 2.31 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 98% min; 98-102.5%
• Grade: puriss.
• Compostion: Solids content, 5-20%
• Impurities: ≤0.003% heavy metals (as Pb); ≤0.1% insoluble in HCl; organic volatile impurities, complies; residual solvents, complies
• Cation Traces: As: ≤1 mg/kg; Ba:, in accordance (Ph Eur); Ba:, in accordance (USP); Fe: ≤300 mg/kg
• Antion Traces: carbonate (CO32-): in accordance; chloride (Cl-): ≤200 mg/kg; fluoride (F-): ≤50 mg/kg; sulfate (SO42-): ≤3000 mg/kg
• Loss on Drying: 24.5-26.5% loss on ignition, 800 °C
• Quality: meets analytical specification of Ph. Eur., BP, USP
• Linear Formula: CaHPO4 · 2H2O

DETAILS

Sigma Aldrich - C1125

Caution
请勿冷冻。到货时请立即查验所有货品，检查是否因运输途中的冷冻造成了凝胶结构的损失。
Quality
去除了外来盐。

Sigma Aldrich - 307653

Packaging
500 g in poly bottle