ethyl 2,2,3,3,3-pentafluoropropanoate

• ChemBase编号: 9772
• 分子式: C5H5F5O2
• 平均质量: 192.084016
• 单一同位素质量: 192.0209705
• SMILES: O=C(C(C(F)(F)F)(F)F)OCC
• Canonical SMILES: CCOC(=O)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3
• InChIKey: DBOFMRQAMAZKQY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2,2,3,3,3-pentafluoropropanoate
• IUPAC传统名: ethyl pentafluoropropionate
• 别名: 五氟丙酸乙酯; Ethyl pentafluoropropionate; Pentafluoropropionic acid ethyl ester; ethyl 2,2,3,3,3-pentafluoropropanoate; PENTAFLUOROPROPIONIC ACID ETHYL ESTER; Ethyl pentafluoropropionate; Ethyl pentafluoropropanoate 98%

登记号

• CAS号: 426-65-3
• EC号: 207-043-6
• MDL号: MFCD00000431
• Beilstein号: 1779789
• PubChem SID: 24857499; 160973079
• PubChem CID: 67928

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.1123276
• LogD (pH = 7.4): 2.1123276
• Log P: 2.1123276
• 摩尔折射率: 27.8396 cm^3
• 极化性: 10.575482 Å^3
• 极化表面积: 26.3 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

• 沸点: 73-74°C; 73-74°C; 75-76 °C(lit.); 75-76°C
• 闪点: 1°C; 1°C(33°F); 2 °C; 35.6 °F
• 密度: 1.299; 1.299 g/mL at 25 °C(lit.)
• 折射率: 1.3010; 1.3016; n20/D 1.301(lit.)
• 疏水性(logP): 3.415

安全信息

• 保存注意事项: Flammable; IRRITANT, FLAMMABLE
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3272; UN3272
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-36/37/38; R:10
• 安全公开号: 16-23-26-33-37; 16-26-33-36; S:9-16-29
• TSCA收录: true; 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 2

产品相关信息

• 纯度: 95%; 98%; 98+%; 99%
• 线性分子式: C2F5CO2C2H5

详细说明

MP Biomedicals - 02156098

(Ethyl pentafluoropropionate)

MP Biomedicals - 05208190

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3250

Undergoes Wittig reaction to give 1-perfluoroalkylenol ethers, which are useful precursors to other fluorine containing molecules: JOC., 57, 3807 (1992).

Sigma Aldrich - 290920

包装
25 g in ampule

参考文献

• Perfluoroalkyl carboxylate esters undergo Wittig reactions with phosphorus ylides, leading to 1-perfluoroalkyl enol ethers, which are useful precursors of various fluorinated derivatives: J. Org. Chem., 57, 3807 (1992); Org. Synth., 75, 153 (1997). See Ethyl trifluoroacetate, A11520, for reaction scheme.