CAS 121368-60-3 Ethyl 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosan-1-oate (HCID 45933757)

基本情報

CAS: 121368-60-3
標準SMILES: CCOC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIKey: WJNZMLAESFFIHG-UHFFFAOYSA-N
分子式: C23H5F41O8
平均分子量: 1,188.2 g/mol
単同位体質量: 1,187.9329718

名称と識別子

優先名称: Ethyl 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosan-1-oate
IUPAC: ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propanoate
英語名: Ethyl perfluoro-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxaeicosanoate
分子式: C23H5F41O8
分子量: 1188.22

名称と別名

121368-60-3DTXSID70896538Ethyl 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosan-1-oateRefChem:342208DTXCID501326030Ethyl perfluoro(2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxaheneicosanotate)Ethyl perfluoro-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxaeicosanoateethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propanoateMFCD13176613C23H5F41O8NS00111498Ethylperfluoro(2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxaheneicosanotate)

名称をさらに表示

3,6,9,12,15,18-Hexaoxaheneicosanoic acid, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-, ethyl ester

物性

構造計算による物性

XLogP: 14.6
極性表面積: 81.7 Å²
水素結合供与体数: 0
水素結合受容体数: 49
回転可能結合数: 21
重原子数: 72
形式電荷: 0
複雑度: 1,890

実験および物理化学的性質

PFAS · 2 件

PFAS -> OECD Category

PFAS -> Other/unspecified

物理化学的性質

沸点: 500 · 500.0±45.0 °C(Predicted)
比重(密度): 1.762 · 1.762±0.06 g/cm3(Predicted)
EPAの化学物質情報: 2 · Ethyl 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosan-1-oate (121368-60-3)

安全と法規制

安全データ

hs_code: 2918999090

化学と産業

用途と製造

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

応用分野

使用Ethyl perfluoro(2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxaheneicosanotate) (CAS# 121368-60-3) is a carbonyl fluoride compound which is a useful building block for the synthesis of perfluoro(alkyl vinyl ethers).

サプライヤー4 社

A.J Chemicals[email protected]

COMBI-BLOCKS[email protected]

SYNQUEST[email protected]

APOLLO-NMR[email protected]

化合物ノート

読み込み中…

Ethyl 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosan-1-oate