1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

• ChemBase编号: 9474
• 分子式: C7BrF15
• 平均质量: 448.954948
• 单一同位素质量: 447.8943853
• SMILES: C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
• InChIKey: VPQQZKWYZYVTMU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
• IUPAC传统名: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
• 别名: 1-溴全氟庚烷; 全氟溴庚烷; 1-溴全氟庚烷; 1-Bromoperfluoroheptane; Perfluoroheptyl bromide; 1-Bromoperfluoroheptane 97%; 1-Bromopentadecafluoroheptane; Perfluoroheptyl bromide; Bromopentadecafluoroheptane; 1-Bromoperfluoroheptane; PERFLUOROHEPTYL BROMIDE

登记号

• CAS号: 375-88-2
• EC号: 206-799-4
• MDL号: MFCD00013570
• Beilstein号: 1716336
• PubChem SID: 160972781; 24868301
• PubChem CID: 67819

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.9419904
• LogD (pH = 7.4): 5.9419904
• Log P: 5.9419904
• 摩尔折射率: 43.8525 cm^3
• 极化性: 17.443066 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 117-119°C; 117-119°C; 118 °C(lit.); 118-119°C
• 闪点: None
• 密度: 1.746; 1.894; 1.894 g/mL at 25 °C(lit.)
• 折射率: 1.303; 1.3030; n20/D 1.301(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• 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: 23-26-37; 26-36
• TSCA收录: true; 否
• 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-P280G-P305+P351+P338; 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%; 98%
• 线性分子式: CF3(CF2)6Br

详细说明

MP Biomedicals - 05216585

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 446866

Application
用于含氮杂芳族化合物的多氟烷基化。1