1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane

• ChemBase编号: 142031
• 分子式: C9H6F13I
• 平均质量: 488.0276516
• 单一同位素质量: 487.93066505
• SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CI
• Canonical SMILES: ICCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H6F13I/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-3H2
• InChIKey: DBWLHXGWJWZTDX-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-9-iodononane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane
• 别名: 1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟-9-碘壬烷; 1H,1H,2H,2H,3H,3H-全氟壬基碘化物; 3-(全氟己基)丙基碘化物; 4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基碘化物; 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-iodononane; 1H,1H,2H,2H,3H,3H-Perfluorononyl iodide; 3-(Perfluorohexyl)propyl iodide; 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl iodide

登记号

• CAS号: 89889-20-3
• MDL号: MFCD03788318
• PubChem SID: 162236262; 24850137
• PubChem CID: 13299942

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.2587185
• LogD (pH = 7.4): 6.2587185
• Log P: 6.2587185
• 摩尔折射率: 57.955 cm^3
• 极化性: 22.533949 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 折射率: n20/D 1.369

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36/37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335-H413
• 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: ≥97% (GC)
• Empirical Formula (Hill Notation): C9H6F13I

详细说明

Sigma Aldrich - 16548

包装
1, 5 g in poly bottle
Legal Information
Fluorous Technologies, Inc. 的产品。该化合物的使用受美国专利 6,156,896、5,859,247、5,777,121 和 6,673,539 的保护。