tris(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite

• ChemBase编号: 96827
• 分子式: C9H3F18O3P
• 平均质量: 532.0633386
• 单一同位素质量: 531.95323855
• SMILES: P(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)OP(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)(F)F
• InChI: InChI=1S/C9H3F18O3P/c10-4(11,12)1(5(13,14)15)28-31(29-2(6(16,17)18)7(19,20)21)30-3(8(22,23)24)9(25,26)27/h1-3H
• InChIKey: MJOVEPJSFHDSOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
• IUPAC传统名: tris(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
• 别名: 三(2H-全氟-2-丙基)亚磷酸酯; 三(1,1,1,3,3,3-六氟-2-丙基)亚磷酸; Tris(2H-perfluoro-2-propyl) phosphite; Tris(1,1,1,3,3,3-hexafluoro-2-propyl) phosphite; Tris[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] phosphite; Tris(1,1,1,3,3,3-hexafluoro-2-propyl) phosphite

登记号

• CAS号: 66470-81-3
• MDL号: MFCD00192561
• Beilstein号: 2315565
• PubChem SID: 24865342; 162083473
• PubChem CID: 333376

理论计算性质

• Acid pKa: 12.549891
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.9677
• LogD (pH = 7.4): 6.967697
• Log P: 6.9677
• 摩尔折射率: 59.6879 cm^3
• 极化性: 22.822989 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 130 °C(lit.); 74-75°C
• 密度: 1.69 g/mL at 25 °C(lit.)
• 折射率: 1.3098; n20/D 1.300(lit.)

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: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 98%
• 线性分子式: [(CF3)2CHO]3P

详细说明

Sigma Aldrich - 405957

包装
1 g in glass bottle