tricalcium diphosphate

• ChemBase编号: 129976
• 分子式: Ca3O8P2
• 平均质量: 310.176722
• 单一同位素质量: 309.79461316
• SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
• InChI: InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
• InChIKey: QORWJWZARLRLPR-UHFFFAOYSA-H

名称和登记号

名称

• IUPAC标准名: tricalcium diphosphate
• IUPAC传统名: tricalcium diphosphate
• 别名: 磷酸三钙; α-磷酸三钙; β-磷酸三钙; 三碱式磷酸钙; 原磷酸钙; 磷酸三钙; 磷酸钙; Calcium phosphate hydroxide; Hydroxylapatite; Calcium phosphate tribasic; Tribasic calcium phosphate; Tricalcium phosphate; Tricalcium phosphate hydrate; α-TCP; α-Tricalcium phosphate; α-tri-Calcium phosphate; β-Calcium phosphate tribasic; β-Tricalcium phosphate; tert-Calcium phosphate; tri-Calcium (ortho)phosphate; Calcium phosphate

登记号

• CAS号: 12167-74-7; 7758-87-4
• EC号: 231-840-8; 235-330-6
• MDL号: MFCD00010904; MFCD00015984
• PubChem SID: 24873377; 162224262; 24873376; 24878215; 24852722
• PubChem CID: 516943; 24456
• CHEBI ID: 9679
• ATC码: A12AA01
• Chemspider ID: 22864
• 美国药典/FDA物质标识码: K4C08XP666
• 维基百科标题: Tricalcium_phosphate

理论计算性质

• Acid pKa: 1.7961261
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• 摩尔折射率: 11.2868 cm^3
• 极化性: 5.564544 Å^3
• 极化表面积: 86.25 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: nanopowder; Powder; White amorphous powder
• 熔点: Liquifies under high pressure at 1670 K (1391 °C)
• 闪点: Non-flammable
• 密度: 3.14 g/cm^3
• 标准摩尔生成焓 (ΔfH^o298): -4126 kcal/mol (α-form)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 22-24/25-26; 26-37
• TSCA收录: 是
• 欧盟危险品索引: Not listed
• GHS危险品标识: GHS07
• GHS警示词: Warning
• NFPA704:
  

  0

  1

  0
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥75% α-phase basis (sinterted powder); ≥96.0% (calc. as Ca3(PO4)2, KT); 34-40% Ca
• 级别: puriss. p.a.; purum p.a.
• 颗粒大小: <100 nm (TEM); <200 nm (BET)
• 杂质: ≤100 mg/kg total sulfur (as SO4) (ICP); ≤50 mg/kg total heavy metals (as lead)
• 痕量阳离子: As: ≤0.5 mg/kg; Ba: ≤20 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤1 mg/kg; Co: ≤50 mg/kg; Cr: ≤15 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤200 mg/kg; Hg: ≤0.5 mg/kg; K: ≤100 mg/kg; Na: ≤1000 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤10 mg/kg; Zn: ≤50 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; chloride (Cl-): ≤500 mg/kg; sulfate (SO42-): ≤1000 mg/kg
• 干燥失重: ≤0.1% loss on ignition, 800 °C
• 线性分子式: Ca3(PO4)2 ·xH2O
• Empirical Formula (Hill Notation): Ca3O8P2

详细说明

Sigma Aldrich - 50552

Application
for analysis of bone cement; as standard
包装
1 g in poly tube
10 g in poly bottle

Sigma Aldrich - 693898

包装
5 g in glass bottle

Sigma Aldrich - 50553

Application
for analysis of bone cement; as standard

Sigma Aldrich - 53737

Analysis Note
相组成（X 射线衍射分析）： a-TCP：>75%； 其他 Ca-P 相 β-磷酸三钙、羟磷灰石和焦磷酸钙 <25%