calcium difluoride

• ChemBase编号: 94331
• 分子式: CaF2
• 平均质量: 78.0748064
• 单一同位素质量: 77.95939742
• SMILES: [Ca+2].[F-].[F-]
• Canonical SMILES: [F-].[F-].[Ca+2]
• InChI: InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2
• InChIKey: WUKWITHWXAAZEY-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: calcium difluoride
• IUPAC传统名: calcium(2+) difluoride; calcium difluoride
• 别名: 氟化钙,沉淀物; 氟化钙, Puratronic®; 氟化钙, 试剂级; 氟化钙, 真空沉积级; 氟化钙,超干; 氟化钙溅射靶, 12.7mm (0.5in) 直径 x 2.5mm (0.098in) 厚; 萤石, 天然矿物, 大约 0.06-0.19in; 氟石; 氟化钙; Calcium(II) fluoride, precipitated; Calcium fluoride, precipitated; Calcium fluoride, Puratronic®; Calcium fluoride, Reagent Grade; Calcium fluoride, Vacuum Deposition Grade; Calcium fluoride, ultra dry; Calcium fluoride sputtering target, 12.7mm (0.5in) dia x 2.5mm (0.098in) thick; Calcium fluoride (naturally occurring mineral); Fluorite, naturally occurring mineral, approximately 1.5-4.8mm (0.06-0.19in); Calcium(II) fluoride, anhydrous 99.9%; CALCIUM FLUORIDE, OPTICAL GRADE; Calcium fluoride; Fluorite; Fluorspar; Calcium fluoride

登记号

• CAS号: 7789-75-5; 14542-23-5
• EC号: 238-575-7; 232-188-7
• MDL号: MFCD00010907
• 默克索引号: 141667
• PubChem SID: 162080985; 24845213
• PubChem CID: 24617; 84512
• CHEBI ID: 35437
• Chemspider ID: 23019
• 美国药典/FDA物质标识码: O3B55K4YKI
• 维基百科标题: Calcium_fluoride

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -0.57
• LogD (pH = 7.4): -0.57
• Log P: -0.57
• 摩尔折射率: 0.0 cm^3
• 极化性: 2.7365203 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
• Acid pKa: 3.09

分子性质

理化性质

• 溶解度: 0.0015 g/100 mL (18 °C) ; 0.0016 g/100 mL (20 °C) in water; insoluble in acetone ; slightly soluble in acid; Insoluble in water. Soluble in ammonium salts. Soluble in conc. mineral acids with evolution of HF
• 外观: -325 Mesh Powder; 3-6mm Pieces (melted); Grains; Powder; Powder, Ampouled under argon; Transparent Crystals; White crystalline solid (single crystals are transparent)
• 熔点: 1360°C; 1402°C; 1403°C; 1418°C
• 沸点: 2500 °C(lit.); 2513°C; 2533°C; 2786°C; ca 2500°C
• 闪点: Non-flammable
• 密度: 3.18; 3.18 g/cm^3; 3.18 g/mL at 25 °C(lit.)
• 折射率: 1.4338; 1.434
• 溶度积(Ksp): 3.9 x 10^-11

安全信息

• 保存注意事项: Hygroscopic; Irritant/Hygroscopic
• RTECS编号: EW1760000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38; R20, R22, R36, R37, R38
• 安全公开号: 26; 26-37; 26-37-60; S26, S36
• 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
• 主要危害: Reacts with conc. sulfuric acid to enhance hydrofluoric acid
• NFPA704:
  

  0

  0

  0
• 半数致死量: 4250 mg/kg (oral, rat)
• GHS危险声明: H303; H315-H319-H335; H315-H319-H335-H303
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A; P312
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥95%; 97%; 99%; 99.5% (metals basis); 99.9% (metals basis); 99.95% (metals basis); 99.985% (metals basis); 99.99% (metals basis)
• 级别: OPTICAL
• 痕量阳离子: As: ≤20 mg/kg
• 痕量阴离子: chloride (Cl-): ≤1000 mg/kg
• 干燥失重: ≤0.1% loss on drying, 105°C
• 品质说明: natural
• Appearance: powder
• Empirical Formula (Hill Notation): CaF2

详细说明

MP Biomedicals - 05207815

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC1640

A useful fluorinating reagent in combination with KF, for alkyl halide to fluoride conversions. Enquire for reference.

参考文献

• In combination with KF, is a useful fluorinating agent for conversion of other alkyl halides to fluorides: J. Chem. Soc., Chem. Commun., 793 (1986).