Cas no 69243-08-9 (4,4,4-trifluoro-2-(2-methoxyethyl)-3-oxobutyric acid ethyl ester)
69243-08-9 structure
Product Name:4,4,4-trifluoro-2-(2-methoxyethyl)-3-oxobutyric acid ethyl ester
CAS No:69243-08-9
MF:C9H13F3O4
MW:242.192333936691
CID:973341
PubChem ID:12513488
Update Time:2025-04-19
4,4,4-trifluoro-2-(2-methoxyethyl)-3-oxobutyric acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4,4,4-trifluoro-2-(2-methoxyethyl)-3-oxobutyric acid ethyl ester
- ethyl 4,4,4-trifluoro-2-(2-methoxyethyl)-3-oxobutanoate
- DTXSID00500959
- AKOS017343591
- FT-0641231
- 69243-08-9
- Ethyl 4,4,4-trifluoro-2-(2-methoxyethyl)-3-oxo-butanoate
- DB-055245
-
- Inchi： 1S/C9H13F3O4/c1-3-16-8(14)6(4-5-15-2)7(13)9(10,11)12/h6H,3-5H2,1-2H3
- InChI Key： RXPCRZZJBBPYIV-UHFFFAOYSA-N
- SMILES： FC(C(C(C(=O)OCC)CCOC)=O)(F)F
Computed Properties
- Exact Mass: 242.07700
- Monoisotopic Mass: 242.07659338g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 1.33360
4,4,4-trifluoro-2-(2-methoxyethyl)-3-oxobutyric acid ethyl ester Customs Data
- HS CODE：2918990090
- Customs Data：
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
4,4,4-trifluoro-2-(2-methoxyethyl)-3-oxobutyric acid ethyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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