2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane

• ChemBase编号: 9732
• 分子式: C12H21F9O3Si3
• 平均质量: 468.5354688
• 单一同位素质量: 468.06547811
• SMILES: O1[Si](O[Si](O[Si]1(C)CCC(F)(F)F)(C)CCC(F)(F)F)(CCC(F)(F)F)C
• Canonical SMILES: FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O1)(C)CCC(F)(F)F)(F)F
• InChI: InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3
• InChIKey: URZHQOCYXDNFGN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
• IUPAC传统名: 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
• 别名: 1,3,5-三甲基-1,3,5-三(3,3,3-三氟丙基)环三硅噁烷; 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]-cyclotrisiloxane; 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane; 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane; 1,3,5-Trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane

登记号

• CAS号: 2374-14-3
• EC号: 219-154-7
• MDL号: MFCD00054667
• Beilstein号: 1809096
• PubChem SID: 160973039
• PubChem CID: 75410

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.4199
• LogD (pH = 7.4): 4.4199
• Log P: 4.4199
• 摩尔折射率: 69.1815 cm^3
• 极化性: 32.054108 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 34-36°C; 34-36°C
• 沸点: 135°C/22mm; 135°C/22mm
• 密度: 1.24; 1.240

安全信息

• 保存注意事项: Flammable; TOXIC
• RTECS编号: GZ4818000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: UN2811
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 25-36/38
• 安全公开号: 26-36/37-45
• TSCA收录: false; 是
• GHS危险品标识: GHS06
• GHS危险声明: H301-H315-H319
• GHS警示性声明: P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A

产品相关信息

• 纯度: 97%