barium(2+) ion hydrogen phosphate

• ChemBase编号: 150599
• 分子式: BaHO4P
• 平均质量: 233.306301
• 单一同位素质量: 233.86649214
• SMILES: OP(=O)([O-])[O-].[Ba+2]
• Canonical SMILES: [O-]P(=O)(O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2
• InChIKey: LYSTYSFIGYAXTG-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: barium(2+) ion hydrogen phosphate
• IUPAC传统名: barium(2+) ion hydrogen phosphate
• 别名: 磷酸氢钡; 磷酸钡 二元; 磷酸氢钡; Barium hydrogenphosphate; Barium phosphate dibasic; Barium phosphate, dibasic; Barium hydrogen phosphate

登记号

• CAS号: 10048-98-3
• EC号: 233-159-1
• MDL号: MFCD00003451
• 默克索引号: 14990
• PubChem SID: 162244760; 24858519
• PubChem CID: 6096957

理论计算性质

• Acid pKa: 1.7961261
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• 摩尔折射率: 12.4085 cm^3
• 极化性: 5.685633 Å^3
• 极化表面积: 83.42 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: Powder
• 熔点: 410°C dec.
• 密度: 4.1^1^6

安全信息

• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1564; UN1564
• 德国WGK号: 1
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 20/22
• 安全公开号: 28
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H332
• GHS警示性声明: P261-P264-P304+P340-P301+P312-P312-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1564 6.1/PG 3

产品相关信息

• 纯度: 97%
• 线性分子式: BaHPO4

详细说明

Sigma Aldrich - 311391

包装
50 g in glass bottle
Application
Reactant involved in hydrothermal synthesis of α-Ba2P2O71Reactant involved in synthesis of modified carbon paste electrode for determination of cadmium and lead via differential pulse anodic stripping voltammetry2Involved in studies of the temperature dependence of soft mode frequency, dielectric constant and loss tangent of crystals in an electric field3Reagent used to asses glucose-specific poly(allylamine) hydrogels4