pentafluoropropanoic acid

• ChemBase编号: 9705
• 分子式: C3HF5O2
• 平均质量: 164.030856
• 单一同位素质量: 163.98967037
• SMILES: FC(C(C(=O)O)(F)F)(F)F
• Canonical SMILES: OC(=O)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
• InChIKey: LRMSQVBRUNSOJL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentafluoropropanoic acid
• IUPAC传统名: propanoic acid, pentafluoro-
• 别名: 全氟丙酸; 五氟丙酸; Pentafluoropropionic acid; Pentafluoropropionic acid; Pentafluoropropanoic acid; Perfluoropropionic acid; Perfluoropropanoic acid 98%; Pentafluoropropionic acid

登记号

• CAS号: 422-64-0
• EC号: 207-021-6
• MDL号: MFCD00004170
• Beilstein号: 1773387
• PubChem SID: 24887178; 24854768; 160973012
• PubChem CID: 62356

理论计算性质

• Acid pKa: 1.3684716
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.8229642
• LogD (pH = 7.4): -1.9184777
• Log P: 1.6096257
• 摩尔折射率: 18.3219 cm^3
• 极化性: 7.1370955 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 95-97°C; 96-97 °C(lit.); 96-97°C; 96-98°C
• 闪点: none°C
• 密度: 1.561; 1.561 g/ml; 1.561 g/mL at 25 °C(lit.); 1.576
• 折射率: 1.284; 1.2840; n20/D 1.284(lit.)
• 蒸汽压: ~40 mm Hg (20°C); ~40 mmHg ( 20 °C)
• 蒸汽密度: ~5.6 (vs air)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate, Store Under Nitrogen
• 保存注意事项: Corrosive/Harmful/Irritant/Hygroscopic/Store under Argon; Hygroscopic; HYGROSCOPIC, CORROSIVE
• RTECS编号: UF6475000
• 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; 3265; UN3265
• 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; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 20-34; R:34
• 安全公开号: 20-26-36/37/39-45; 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: true; 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H314-H318-H332; H314-H332
• 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 3265 8/PG 2

产品相关信息

• 纯度: >97%; ≥97.0% (GC); 97%; 98%
• 级别: purum
• 线性分子式: CF3CF2COOH

详细说明

MP Biomedicals - 05217307

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156097

Purity: >97%

Apollo Scientific Ltd - PC5740

The K salt is an alternative to iodopentafluoroethane for conversion of aryl bromides and iodides to corresponding pentafluoroethyl derivatives without sealed tube chemistry

Sigma Aldrich - 245917

包装
10, 50 g in glass bottle

参考文献

• The K salt is a convenient alternative to iodopentafluoroethane for the conversion of aryl bromides and iodides to their pentafluoroethyl derivatives, avoiding sealed-tube chemistry: Synth. Commun., 18, 965 (1988):