Cas no 142820-57-3 (Butanoic acid, 4,4,4-trifluoro-2-(hydroxymethylene)-, ethyl ester, (2Z)-)
142820-57-3 structure
Product Name:Butanoic acid, 4,4,4-trifluoro-2-(hydroxymethylene)-, ethyl ester, (2Z)-
CAS No:142820-57-3
MF:C7H9F3O3
MW:198.139773130417
CID:1312260
Update Time:2024-08-18
Butanoic acid, 4,4,4-trifluoro-2-(hydroxymethylene)-, ethyl ester, (2Z)- Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 4,4,4-trifluoro-2-(hydroxymethylene)-, ethyl ester, (2Z)-
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- Inchi： 1S/C7H9F3O3/c1-2-13-6(12)5(4-11)3-7(8,9)10/h4,11H,2-3H2,1H3/b5-4-
- InChI Key： UZBXHJDRJPWKFF-PLNGDYQASA-N
- SMILES： C(OCC)(=O)/C(=C\O)/CC(F)(F)F
Computed Properties
- Exact Mass: 198.05037
Experimental Properties
- Density: 1.279±0.06 g/cm3(Predicted)
- Boiling Point: 191.6±40.0 °C(Predicted)
- PSA: 46.53
- pka: 4.13±0.50(Predicted)
Butanoic acid, 4,4,4-trifluoro-2-(hydroxymethylene)-, ethyl ester, (2Z)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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