nonafluorobutane-1-sulfonic acid

• ChemBase编号: 8864
• 分子式: C4HF9O3S
• 平均质量: 300.0995688
• 单一同位素质量: 299.95026887
• SMILES: C(S(=O)(=O)O)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)
• InChIKey: JGTNAGYHADQMCM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: nonafluorobutane-1-sulfonic acid
• IUPAC系统名: 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid
• IUPAC传统名: perfluorobutanesulfonic acid
• 别名: 全氟-1-丁磺酸; 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonic acid; Perfluorobutane-1-sulphonic acid; Nonafluorobutanesulfonic acid; 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid; Nonafluorobutane-1-sulfonic acid; FC-98; Nonaflate; Nonafluorobutanesulphonic acid; Perfluorobutane sulfonate; PFBS; Perfluorobutanesulfonic acid

登记号

• CAS号: 375-73-5; 59933-66-3
• EC号: 206-793-1
• MDL号: MFCD01320794
• PubChem SID: 160972171; 24880050
• PubChem CID: 67815
• Chemspider ID: 61132
• 维基百科标题: Perfluorobutanesulfonic_acid

理论计算性质

• Acid pKa: -3.314291
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.2508584
• LogD (pH = 7.4): 0.25085825
• Log P: 2.627257
• 摩尔折射率: 32.3069 cm^3
• 极化性: 13.286682 Å^3
• 极化表面积: 54.37 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

• 熔点: 76–84 °C
• 沸点: 112-114 °C/14 mmHg(lit.); 211 °C; 76-84°C/0.1mm
• 闪点: none°C
• 密度: 1.811; 1.811 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.3230(lit.)

安全信息

• 保存注意事项: CORROSIVE; Corrosive/Harmful/Moisture Sensitive/Keep Cold/Store under Argon
• RTECS编号: EK5930000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3094, 3265; 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: 14-22-34; R34
• 安全公开号: 26-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-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
• 欧盟补充危害声明: Reacts violently with water.
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95+%; 97%
• 线性分子式: CF3(CF2)3SO3H

详细说明

Apollo Scientific Ltd - PC9086

Nonaflates are slightly more reactive towards nucleophilic displacements than triflates.

Sigma Aldrich - 562629

包装
5, 25 g in glass bottle