1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane

• ChemBase编号: 9478
• 分子式: C9BrF19
• 平均质量: 548.9699608
• 单一同位素质量: 547.88799818
• SMILES: FC(C(C(C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9BrF19/c10-8(25,26)6(21,22)4(17,18)2(13,14)1(11,12)3(15,16)5(19,20)7(23,24)9(27,28)29
• InChIKey: OWIAIPIQXHPUHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane
• IUPAC传统名: 1-bromoperfluorononane
• 别名: 1-溴全氟壬烷; 1-Bromoperfluorononane; 1-Bromoperfluorononane; Perfluorononyl bromide 98%; Bromononadecafluorononane; Perfluorononyl bromide; 1-Bromoperfluorononane

登记号

• CAS号: 558-96-3
• MDL号: MFCD00153257
• PubChem SID: 160972785
• PubChem CID: 2776260

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.343276
• LogD (pH = 7.4): 7.343276
• Log P: 7.343276
• 摩尔折射率: 53.1885 cm^3
• 极化性: 21.27878 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

• 熔点: 27-30°C; 30°C
• 沸点: 159°C; 159°C; 95-96°C/20mm
• 闪点: None
• 密度: 1.900

安全信息

• 保存注意事项: Irritant
• 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: false; 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P280G-P305+P351+P338

产品相关信息

• 纯度: 98%