dichlorocalcium hexahydrate

• ChemBase编号: 147984
• 分子式: CaCl2H12O6
• 平均质量: 219.07568
• 单一同位素质量: 217.96368444
• SMILES: O.O.O.O.O.O.Cl[Ca]Cl
• Canonical SMILES: Cl[Ca]Cl.O.O.O.O.O.O
• InChI: InChI=1S/Ca.2ClH.6H2O/h;2*1H;6*1H2/q+2;;;;;;;;/p-2
• InChIKey: QHFQAJHNDKBRBO-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: dichlorocalcium hexahydrate
• IUPAC传统名: dichlorocalcium hexahydrate
• 别名: 氯化钙 六水合物; 六水氯化钙; Calcium chloride hexahydrate; Calcii chloridum hexahydricum

登记号

• CAS号: 7774-34-7
• MDL号: MFCD00149616
• PubChem SID: 24847428; 162242164; 24852652; 24852651; 24868038
• PubChem CID: 24486

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.769
• LogD (pH = 7.4): 0.769
• Log P: 0.769
• 摩尔折射率: 12.2726 cm^3
• 极化性: 7.342525 Å^3
• 极化表面积: 0.0 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

• 溶解度: H2O: soluble1 M at 20 °C, clear, colorless
• 外观: solid
• 熔点: 30 °C
• 密度: 1.71 g/mL at 25 °C(lit.)
• 紫外吸收波长: λ: 260 nm Amax: 0.018; λ: 280 nm Amax: 0.015
• 转变温度: solidification point 28-30 °C
• pH值: 5.0-7.0 (25 °C, 1 M in H2O)

安全信息

• RTECS编号: EV9830000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36
• 安全公开号: 22-24
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99% (calc. based on dry substance, KT); ≥99.0% (calc. based on dry substance, KT); 97-103%; 98%
• 级别: Ph Eur; purum p.a.
• 杂质: ≤0.0001% Al; ≤0.001% heavy metals (as Pb); ≤0.3% subst. not precip. by ammonium oxalate (as SO4); Insoluble matter, passes filter test
• 痕量阳离子: Al: ≤1 mg/kg; As: ≤0.1 mg/kg; As: ≤1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Hg: ≤1 mg/kg; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤50 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤1000 mg/kg; Na: ≤500 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• 痕量阴离子: sulfate (SO42-): ≤100 mg/kg
• 品质说明: meets analytical specification of Ph. Eur., E509
• λ: 1 M in H2O
• 药典: testing & handling conforms to Pharmacopeia
• 产品线: BioUltra
• Empirical Formula (Hill Notation): CaCl2 · 6H2O

详细说明

Sigma Aldrich - 21108

Caution
may also be liquid at temperatures >28°C

Sigma Aldrich - 442909

包装
1, 2.5 kg in poly bottle

Sigma Aldrich - 21110

Caution
在温度 >28°C 时还可以为液体