1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane

• ChemBase编号: 10335
• 分子式: C10H9F13O2
• 平均质量: 408.1565016
• 单一同位素质量: 408.03949639
• SMILES: C(C(F)(F)F)(C(C(C(C(CC(OC)OC)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
• InChI: InChI=1S/C10H9F13O2/c1-24-4(25-2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3
• InChIKey: BYPGRUVLTPMKIS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane
• 别名: 2-(Perfluoro-n-hexyl)acetaldehyde dimethyl acetal 97%; 2-(Perfluorohexyl)acetaldehyde dimethyl acetal

登记号

• CAS号: 142502-76-9
• MDL号: MFCD00236703
• PubChem SID: 160973642
• PubChem CID: 2776157

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.065364
• LogD (pH = 7.4): 5.065364
• Log P: 5.065364
• 摩尔折射率: 52.0355 cm^3
• 极化性: 20.264856 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 71°C/14mm
• 密度: 1.534
• 折射率: 1.322

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%