prop-2-en-1-yltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane

• ChemBase编号: 135800
• 分子式: C27H17F39Sn
• 平均质量: 1201.0626048
• 单一同位素质量: 1201.97294512
• SMILES: C=CC[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/3C8H4F13.C3H5.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;1-3-2;/h3*1-2H2;3H,1-2H2
• InChIKey: RMDIHFFKXXTNGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: prop-2-en-1-yltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• IUPAC传统名: prop-2-en-1-yltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• 别名: 三(1H,1H,2H,2H-全氟辛基)烯丙基锡; 烯丙基三(1H,1H,2H,2H-全氟辛基)锡烷; 烯丙基三(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)锡烷; Allyltris(1H,1H,2H,2H-perfluorooctyl)stannane; Tris(1H,1H,2H,2H-perfluorooctyl)allyltin; Allyltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane

登记号

• CAS号: 192212-66-1
• MDL号: MFCD03788379
• PubChem SID: 24878520; 162230071
• PubChem CID: 10510526

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 20.0014
• LogD (pH = 7.4): 20.0014
• Log P: 20.0014
• 摩尔折射率: 131.2816 cm^3
• 极化性: 55.434155 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 26
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38-53
• 安全公开号: 61
• 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: ~90%
• Empirical Formula (Hill Notation): C27H17F39Sn

详细说明

Sigma Aldrich - 54114

Legal Information
Fluorous Technologies, Inc. 产品。受美国专利 6,156,896、5,859,247 和 5,777,127 保护