Benzoic acid, 2,3,4,5-tetrafluoro-, ethyl ester


Chemical Name: Benzoic acid, 2,3,4,5-tetrafluoro-, ethyl ester
CAS Number: 122894-73-9
Product Number: AG000JPJ(AGN-PC-0KKW4I)
Synonyms:
MDL No:
Molecular Formula: C9H6F4O2
Molecular Weight: 222.1364

Identification/Properties


Properties
BP:
238.6 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
1.4440
Computed Properties
Molecular Weight:
222.139g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
222.03g/mol
Monoisotopic Mass:
222.03g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
236
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Ethyl 2,3,4,5-tetrafluorobenzoate, a potent chemical compound widely utilized in organic synthesis, serves as a versatile building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique molecular structure allows for precise manipulation in reactions, enabling the introduction of fluorine atoms into target molecules with high selectivity and efficiency. Through strategic incorporation of Ethyl 2,3,4,5-tetrafluorobenzoate into synthetic pathways, chemists can facilitate the production of novel compounds with enhanced properties and biological activities. Its role in chemical synthesis extends to the development of diverse materials and intermediates, showcasing its significance in advancing the frontiers of modern chemistry.