bromotris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane

• ChemBase编号: 142321
• 分子式: C24H12BrF39Sn
• 平均质量: 1239.8948048
• 单一同位素质量: 1239.85215696
• SMILES: C(C[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)Br)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(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)Br)F
• InChI: InChI=1S/3C8H4F13.BrH.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h3*1-2H2;1H;/q;;;;+1/p-1
• InChIKey: JUIMYMQITJQCCQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: bromotris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• IUPAC传统名: bromotris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
• 别名: 三(3,3,4,4,5,5,6,6,7,7,8,8,8-氟辛基)锡溴; 三(1H,1H,2H,2H-全氟辛基)锡溴; 溴化三(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)锡烷; Bromotris(3,3,4,4,5,5,6,6,7,7,8,8,8- tridecafluorooctyl)stannane; Tris(1H,1H,2H,2H-perfluorooctyl)tin bromide; Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin bromide

登记号

• CAS号: 175354-31-1
• MDL号: MFCD01318179
• PubChem SID: 162236551; 24866736
• PubChem CID: 2733228

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 17.3766
• LogD (pH = 7.4): 17.3766
• Log P: 17.3766
• 摩尔折射率: 125.7178 cm^3
• 极化性: 54.113842 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 24
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: >149 °C; >300.2 °F
• 密度: 1.88 g/mL at 25 °C

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): C24H12BrF39Sn

详细说明

Sigma Aldrich - 42710

包装
5 g in poly bottle
Legal Information
Fluorous Technologies, Inc. 产品。受美国专利 6,156,896、5,859,247 和 5,777,124 保护