1219804-63-3
Chemical Structure
2,4-Difluorobenzoic acid-d3
- CAS No.: 1219804-63-3
- Formula:C7HD3F2O2
- Molecular Weight:161.12
IUPAC Name: (E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, triammonia salt
InChIKey: NJYBIFYEWYWYAN-CBYSEHNBSA-N
SMILES: OC(C1=C(C([2H])=C(C([2H])=C1[2H])F)F)=O
Biological Activity: 2,4-Difluorobenzoic acid-d3 is the deuterated-labeled 2,4-Difluorobenzoic acid (HY-W002068). 2,4-Difluorobenzoic acid is a difluorinated aromatic carboxylic acid. 2,4-Difluorobenzoic acid can serve as a crystalline molecular ruler for fluorine-fluorine distance measurements by 19F MAS NMR, as well as a non-radioactive passive water tracer for oilfield applications[1][2][3][4][5].
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2,4-Difluorobenzoic acid-d3 | 99% | 2,4-Difluorobenzoic acid-d3 is the deuterated-labeled 2,4-Difluorobenzoic acid (HY-W002068). 2,4-Difluorobenzoic acid is a difluorinated aromatic carboxylic acid. 2,4-Difluorobenzoic acid can serve as a crystalline molecular ruler for fluorine-fluorine distance measurements by 19F MAS NMR, as well as a non-radioactive passive water tracer for oilfield applications. | ||||||||||||||||||||
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2,4-Difluorobenzoic acid | 99.58% | 2,4-Difluorobenzoic acid is a difluorinated aromatic carboxylic acid. 2,4-Difluorobenzoic acid can serve as a crystalline molecular ruler for fluorine-fluorine distance measurements by 19F MAS NMR, as well as a non-radioactive passive water tracer for oilfield applications. | ||||||||||||||||||||
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References
- [1]. Fritz M, et al. Measurement of Accurate Interfluorine Distances in Crystalline Organic Solids: A High-Frequency Magic Angle Spinning NMR Approach. The journal of physical chemistry. B. 2019 Dec 19;123(50):10680-10690.
- [2]. Zhou RB, et al. Synthesis, structural characterization, and luminescent properties of novel dinuclear rare-earth complexes with fluorinated benzoate and bipyridine ligands: insights from TG-DTG-DSC/FTIR/MS analysis. Polyhedron. 2026 May 3:118181.
- [3]. Du DD, et al. Construction of six novel lanthanide complexes supported by 2,4-difluorobenzoic acid and 5,5′-dimethyl-2,2′-bipyridine: Structures, spectroscopies and thermochemical properties. Thermochimica Acta. 2021;706:179080.
- [4]. Kubica P, et al. Sensitive simultaneous determination of 19 fluorobenzoic acids in saline waters by solid-phase extraction and liquid chromatography–tandem mass spectrometry. Journal of Chromatography A. 2015 Oct 23;1417:30-40.
- [5]. Karabacak M, et al. Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 2011 Sep;79(5):1511-9.
