heptadecafluorooctane-1-sulfonyl chloride

• ChemBase编号: 100454
• 分子式: C8ClF17O2S
• 平均质量: 518.5752544
• 单一同位素质量: 517.90360766
• SMILES: S(=O)(=O)(Cl)C(C(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(S(=O)(=O)Cl)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8ClF17O2S/c9-29(27,28)8(25,26)6(20,21)4(16,17)2(12,13)1(10,11)3(14,15)5(18,19)7(22,23)24
• InChIKey: FJHZKRYJOILIGD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptadecafluorooctane-1-sulfonyl chloride
• IUPAC传统名: heptadecafluorooctane-1-sulfonyl chloride
• 别名: 全氟-1-辛烷磺酰氯; 全氟辛烷磺酰氯; Perfluorooctanesulphonyl chloride; Perfluoro-1-octanesulfonyl chloride; Heptadecafluoro-1-octanesulfonyl chloride

登记号

• CAS号: 423-60-9
• MDL号: MFCD03412272
• PubChem SID: 24865275; 162086544
• PubChem CID: 324956

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.1952243
• LogD (pH = 7.4): 6.1952243
• Log P: 6.1952243
• 摩尔折射率: 54.5506 cm^3
• 极化性: 22.25808 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

安全信息

• 保存注意事项: Corrosive/Moisture Sensitive/Store under Argon
• 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
• 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: ≥90% (T)
• 级别: technical
• Empirical Formula (Hill Notation): C8ClF17O2S

详细说明

Sigma Aldrich - 40486

包装
1 g in glass bottle