heptadecafluorooctane-1-sulfonyl fluoride

• ChemBase编号: 120484
• 分子式: C8F18O2S
• 平均质量: 502.1206576
• 单一同位素质量: 501.9331582
• SMILES: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)F)(F)F
• Canonical SMILES: FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28
• InChIKey: BHFJBHMTEDLICO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptadecafluorooctane-1-sulfonyl fluoride
• IUPAC传统名: heptadecafluorooctane-1-sulfonyl fluoride
• 别名: 全氟辛基磺酰氟; 全氟-1-辛烷磺酰氟; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride; Heptadecafluorooctanesulfonyl fluoride; Perfluoro-1-octanesulfonyl fluoride; Perfluorooctanesulfonyl fluoride

登记号

• CAS号: 307-35-7
• EC号: 206-200-6
• MDL号: MFCD00012016
• Beilstein号: 1718067
• PubChem SID: 162214837; 24859183
• PubChem CID: 9388
• 维基百科标题: Perfluorooctanesulfonyl_fluoride

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.9076347
• LogD (pH = 7.4): 5.9076347
• Log P: 5.9076347
• 摩尔折射率: 49.9156 cm^3
• 极化性: 20.465876 Å^3
• 极化表面积: 34.14 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

• 沸点: 154 °C; 154-155 °C(lit.)
• 密度: 1.824 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.301(lit.)
• 蒸汽压: <10 mmHg ( 20 °C)
• 蒸汽密度: >1 (vs air)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3265
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45; R
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

产品相关信息

• 纯度: 95% (sum of isomers)
• 线性分子式: CF3(CF2)7SO2F

详细说明

Sigma Aldrich - 319724

包装
25 g in poly bottle