heptadecafluorooctane-1-sulfonic acid

• ChemBase编号: 106194
• 分子式: C8HF17O3S
• 平均质量: 500.1295944
• 单一同位素质量: 499.93749463
• SMILES: OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Canonical SMILES: FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8HF17O3S/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/h(H,26,27,28)
• InChIKey: YFSUTJLHUFNCNZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptadecafluorooctane-1-sulfonic acid
• IUPAC系统名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid
• IUPAC传统名: PFOS; perfluorooctane sulfonate
• 别名: 十七氟辛烷磺酸; 全氟辛烷磺酸; 十七氟辛烷磺酸 溶液; Heptadecafluorooctanesulfonic acid; Perfluorooctanesulfonic acid; Heptadecafluorooctanesulfonic acid solution; Heptadecafluoroctan-1-sulfonsyre; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid; Heptadecafluorooctanesulfonic acid; PFOS; PERFLUOROOCTANESULPHONIC ACID; Perfluorooctanesulfonic acid

登记号

• CAS号: 1763-23-1
• EC号: 200-659-6; 217-179-8
• MDL号: MFCD00042454
• Beilstein号: 1813859
• PubChem SID: 24887172; 162089023
• PubChem CID: 74483
• CHEBI ID: 39421
• Chemspider ID: 67068
• KEGG ID: C18142
• 维基百科标题: Perfluorooctanesulfonic_acid

理论计算性质

• Acid pKa: -3.3242528
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 3.0534294
• LogD (pH = 7.4): 3.0534291
• Log P: 5.4298277
• 摩尔折射率: 50.9789 cm^3
• 极化性: 20.93863 Å^3
• 极化表面积: 54.37 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: 133 °C at 6 torr
• 闪点: 11 °C; 51.8 °F
• pKa: <<0

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: RG9701600
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); Dangerous for the environment (N); 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); Toxic (T)
• 联合国危险货物编号: 1230; 2928; 3261; 3265
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3; 6.1; 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2XE
• 危险公开号: 11-23/24/25-39/23/24/25; 61-20/22-40-48/25-51/53-64; R:25-34; R61, R20/22, R40, R48/25, R64, R51/53
• 安全公开号: 53-36/37-45-61; 53-45-61; 7-16-36/37-45; S:26-36/37/39-45; S53, S45, S61
• 欧盟危险货物分类: TC2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 154
• 欧盟危险品索引: 607-624-00-8
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H331-H370; H302-H332-H351-H360-H362-H372-H411; H302-H351-H360-H362-H372-H411
• GHS警示性声明: P201-P263-P273-P281-P308 + P313; P210-P260-P280-P301 + P310-P311
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 3261 8/PG 2; UN 3265 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 浓度: ~40% in H2O (T); 100 μg/mL in methanol
• 级别: analytical standard, for environmental analysis
• 线性分子式: CF3(CF2)7SO3H
• Empirical Formula (Hill Notation): C8HF17O3S

详细说明

Sigma Aldrich - 77283

包装
10, 50 mL in glass bottle