2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate

• ChemBase编号: 8057
• 分子式: C4H3F7O3S
• 平均质量: 264.1186424
• 单一同位素质量: 263.9691125
• SMILES: O=S(=O)(OCC(C(F)F)(F)F)C(F)(F)F
• Canonical SMILES: FC(C(COS(=O)(=O)C(F)(F)F)(F)F)F
• InChI: InChI=1S/C4H3F7O3S/c5-2(6)3(7,8)1-14-15(12,13)4(9,10)11/h2H,1H2
• InChIKey: OSWSZHMBICDPQH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate
• IUPAC传统名: 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate
• 别名: 1H,1H,3H-Tetrafluoropropyl triflate; 2,2,3,3-Tetrafluoropropyl trifluoromethane sulphonate 97%; 2,2,3,3-Tetrafluoropropyl trifluoromethane-sulfonate; 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate

登记号

• CAS号: 6401-02-1
• MDL号: MFCD02093338
• PubChem SID: 160971364
• PubChem CID: 3792475

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.6929762
• LogD (pH = 7.4): 2.6929762
• Log P: 2.6929762
• 摩尔折射率: 30.6926 cm^3
• 极化性: 13.1707735 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 122-125°C/737mm
• 闪点: none°C
• 折射率: 1.3203; 1.3223
• 疏水性(logP): 2.721

安全信息

• 保存注意事项: Irritant/Toxic/Corrosive; TOXIC, CORROSIVE
• TSCA收录: false

产品相关信息

• 纯度: 95%; 97%