trifluoromethanesulfonic acid

• ChemBase编号: 99621
• 分子式: CHF3O3S
• 平均质量: 150.0770496
• 单一同位素质量: 149.95984955
• SMILES: S(=O)(=O)(C(F)(F)F)O
• Canonical SMILES: FC(S(=O)(=O)O)(F)F
• InChI: InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
• InChIKey: ITMCEJHCFYSIIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trifluoromethanesulfonic acid
• IUPAC传统名: trifluoromethanesulfonate; trifluoromethanesulfonic acid
• 别名: 三氟甲烷磺酸; 三氟甲磺酸; 三氟甲烷磺酸; 三氟甲磺酸 溶液; Triflic acid; Trifluoromethanesulphonic acid 99%; Trifluoromethanesulfonic acid; Trifluoromethanesulfonic acid solution; TRIFLUOROMETHANESULFONIC ACID

登记号

• CAS号: 1493-13-6
• EC号: 216-087-5
• MDL号: MFCD00007514
• Beilstein号: 3693487; 1812100
• 默克索引号: 149676
• PubChem SID: 24849764; 24861808; 24861529; 162085884
• PubChem CID: 62406
• CHEBI ID: 48511
• Chemspider ID: 56192
• 维基百科标题: Trifluoromethanesulfonic_acid

理论计算性质

• Acid pKa: -3.4301212
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• 摩尔折射率: 16.9819 cm^3
• 极化性: 7.5827928 Å^3
• 极化表面积: 54.37 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Miscible in water
• 外观: Colorless liquid; slightly brown
• 熔点: -40°C; -40 °C; -40°C
• 沸点: 161-162°C; 162 °C(lit.); 162°C; 162 °C
• 闪点: 100.4 °F; 38 °C; None; none°C
• 密度: 1.696; 1.696 g/ml; 1.696 g/mL; 1.696 g/mL at 25 °C(lit.); 1.708
• 折射率: 1.327; 1.3270; n20/D 1.327(lit.); n20/D 1.33
• 蒸汽压: 8 mm Hg @25°C; 8 mmHg ( 25 °C)
• 蒸汽密度: 5.2 (vs air)

安全信息

• 保存条件: 0°C, Desiccate
• 保存注意事项: Corrosive/Hygroscopic; Hygroscopic
• RTECS编号: PB2771000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 1760; 2789; 3265; UN3265
• 德国WGK号: 2
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 10-35; 20/22-35; 21/22-35; R:34
• 安全公开号: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• 欧盟危险货物分类: C9
• 欧盟危险识别号(EUHIN): 8B
• 美国ERG指导号: 154
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07
• GHS警示词: Danger
• 主要危害: Corrosive, eye irritant
• GHS危险声明: H226-H314; H302 + H312-H314; H331-H302-H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 2789 8/PG 2; UN 3265 8/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (T); ≥98.5% (T); ≥99%; 98%; 98+%
• 浓度: 0.1 M CF3SO3H in acetic acid (0.1N)
• 级别: for titration in non-aqueous medium; puriss.; purum; reagent grade; ReagentPlus®
• 痕量阴离子: fluoride (F-): ≤100 mg/kg
• 品质说明: volumetric
• 线性分子式: CF3SO3H

详细说明

MP Biomedicals - 02157025

Free Acid
1 ml = approx. 1.70 g

Apollo Scientific Ltd - PC7410

Useful catalyst /Extremely strong monoprotic acid Review of triflic acid & derivs. : Chem Rev., 77, 69 (1977). Packaged in Safebreak bottles

Sigma Aldrich - T1394

Application
去糖基化剂

Sigma Aldrich - 347817

Application
去糖基化剂
包装
1, 5, 25 g in ampule
100, 500 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 35317

General description
请访问我们的 滴定中心 了解更多信息。

Sigma Aldrich - 71786

Application
去糖基化剂

Sigma Aldrich - 158534

Application
去糖基化剂
多功能试剂1，用于芳基三氟甲基磺酸盐的合成，2链烯酸的内酯化3以及 E-烯烃的形成。4
包装
10, 50, 100 g in ampule

Sigma Aldrich - 91738

Application
去糖基化剂
Other Notes
综述1；用于糖蛋白去糖基化的试剂2,3

参考文献

• One of the strongest available monoprotic acids. For a review of the chemistry of triflic acid and its derivatives, see: Chem. Rev., 77, 69 (1977).
• Simple triflic esters, readily prepared by reaction with alcohols, are powerful alkylating agents and must be handled with extreme care because of their irritating effect on the lungs. For a review, see: Synthesis, 85 (1982).
• For use in direct electrophilic amination of arenes, see Trimethylsilyl azide, L00173. Effects direct oxy-functionalization of aromatics in combination with bis(TMS) peroxide: J. Org. Chem., 54, 1204 (1989); or sodium perborate: Synlett, 39 (1991).
• Adds to both internal and terminal alkynes to give vinyl triflates: J. Am. Chem. Soc., 91, 4600 (1969); Org. Synth. Coll., 9, 472 (1998). Reaction in the presence of a nitrile provides a route to sterically hindered 2,4,6-trisubstituted pyrimidines: Synthesis, 881 (1990):