3,4,4-trifluoro-3-(trifluoromethyl)-1,2$l^{6}-oxathietane-2,2-dione

• ChemBase编号: 10320
• 分子式: C3F6O3S
• 平均质量: 230.0857192
• 单一同位素质量: 229.94723418
• SMILES: C1(C(S(=O)(=O)O1)(F)C(F)(F)F)(F)F
• Canonical SMILES: FC(C1(F)C(F)(F)OS1(=O)=O)(F)F
• InChI: InChI=1S/C3F6O3S/c4-1(2(5,6)7)3(8,9)12-13(1,10)11
• InChIKey: NRSBEUZIEWSRKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,4,4-trifluoro-3-(trifluoromethyl)-1,2$l^{6}-oxathietane-2,2-dione
• IUPAC传统名: 3,4,4-trifluoro-3-(trifluoromethyl)-1,2$l^{6}-oxathietane-2,2-dione
• 别名: 3,4,4-Trifluoro-3-(trifluoromethyl)-1,2-oxathietane 2,2-dioxide; Hexafluoro(3-methyl-1,2-oxathietane 2,2-dioxide); Perfluoro(3-methyl-1,2-oxathietane 2,2-dioxide); 1,2,2-Trifluoro-2-hydroxy-1-(trifluoromethyl)-ethanesulfonic acid sultone

登记号

• CAS号: 773-15-9
• MDL号: MFCD00082475
• PubChem SID: 160973627
• PubChem CID: 2776240

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2670395
• LogD (pH = 7.4): 2.2670395
• Log P: 2.2670395
• 摩尔折射率: 24.8768 cm^3
• 极化性: 10.820038 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 45.6°C; 47°C

安全信息

• 保存注意事项: Corrosive/Keep Cold/Moisture Sensitive/Lachrymatory; IRRITANT, KEEP COLD
• TSCA收录: false

产品相关信息

• 纯度: 98%

详细说明

Apollo Scientific Ltd - PC9181

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