(2E)-1,1,2,3,4,5,5,5-octafluoro-1-iodo-4-(trifluoromethyl)pent-2-ene

• ChemBase编号: 97860
• 分子式: C6F11I
• 平均质量: 407.9511052
• 单一同位素质量: 407.88690842
• SMILES: FC(/C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)/F)(F)I
• Canonical SMILES: F/C(=C(\C(C(F)(F)F)(C(F)(F)F)F)/F)/C(I)(F)F
• InChI: InChI=1S/C6F11I/c7-1(2(8)4(10,11)18)3(9,5(12,13)14)6(15,16)17
• InChIKey: BJZGOHYMGKSXBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2E)-1,1,2,3,4,5,5,5-octafluoro-1-iodo-4-(trifluoromethyl)pent-2-ene; 1,1,2,3,4,5,5,5-octafluoro-1-iodo-4-(trifluoromethyl)pent-2-ene
• IUPAC传统名: (2E)-1,1,2,3,4,5,5,5-octafluoro-1-iodo-4-(trifluoromethyl)pent-2-ene; 1,1,2,3,4,5,5,5-octafluoro-1-iodo-4-(trifluoromethyl)pent-2-ene
• 别名: 1-碘全氟(4-甲基-2-戊烯); 1-Iodo-4-(trifluoromethyl)octafluoro-2-pentene; Perfluoro(4-methyl-2-pentenyl) iodide; 1-Iodoperfluoro(4-methyl-2-pentene); 1-Iodoperfluoro(4-methylpent-2-ene); 1-Iodo-4-(trifluoromethyl)octafluoropent-2-ene 97%

登记号

• CAS号: 120695-78-5
• MDL号: MFCD00153199
• Beilstein号: 3618405
• PubChem SID: 162084387
• PubChem CID: 2775195

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.5052
• LogD (pH = 7.4): 2.5052
• Log P: 2.5052
• 摩尔折射率: 46.0282 cm^3
• 极化性: 17.22147 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 32-33°C/50mm; 32-33°C/50mm

安全信息

• 保存注意事项: Light Sensitive; Toxic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 94%