121219-16-7

Basic information

• Product Name: 2,3-Difluorophenylboronic acid
• Synonyms: RARECHEM AH PB 0166;2,3-DIFLUOROPHENYLBORONIC ACID;2,3-DIFLUOROBENZENEBORONIC ACID;2,3-FLUOROBENZENE BORONIC ACID;2,3-Difluorophenylboronic acid, 97+%;2,3-Difluorobenzeneboronic acid 98%;2,3-Difluorobenzeneboronicacid98%;2,3-Difluorophenylboronic Acid (contains varying amounts of Anhydride)
• CAS NO: 121219-16-7
• Molecular Formula: C₆H₅BF₂O₂
• Molecular Weight: 157.91
• EINECS: -0
• Product Categories: blocks;BoronicAcids;FluoroCompounds;Boric Acid;Fluorobenzene;Boronic Acid;Aryl;Halogenated;Organoborons;B (Classes of Boron Compounds);Boronic Acids;Boronic Acids;Boronic Acids and Derivatives;Boronate Ester;Potassium Trifluoroborate
• Mol File: 121219-16-7.mol

Chemical Properties

• Melting Point: 95 °C (dec.)(lit.)
• Boiling Point: 274.8 ºC at 760 mmHg
• Flash Point: 120ºC
• Appearance: White to light beige/Crystalline Powder
• Density: 1.35 g/cm³
• Vapor Pressure: 0.00257mmHg at 25°C
• Refractive Index: 1.485
• Storage Temp.: 0-6°C
• Solubility: soluble in Methanol
• PKA: 7.29±0.58(Predicted)
• BRN: 6594341
• CAS DataBase Reference: 2,3-Difluorophenylboronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-Difluorophenylboronic acid(121219-16-7)
• EPA Substance Registry System: 2,3-Difluorophenylboronic acid(121219-16-7)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 121219-16-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2,3-Difluorophenylboronic acid is used as a reagent for the preparation of pharmaceutical and biologically active molecules. Its unique structure allows it to be a key component in the synthesis of various drugs, contributing to the development of new medications with improved efficacy and safety profiles.
Used in Chemical Research:
In the field of chemical research, 2,3-Difluorophenylboronic acid is utilized as an intermediate in the synthesis of liquid crystals. Its properties make it suitable for the development of advanced materials with potential applications in display technologies and other industries.
Used in Suzuki Reaction:
2,3-Difluorophenylboronic acid is a valuable reagent in the Suzuki reaction, a widely used cross-coupling reaction in organic chemistry. This reaction allows for the formation of carbon-carbon bonds, facilitating the synthesis of complex organic molecules with potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H

Upstream product

• 121-43-7 Trimethyl borate 
• 367-11-3 ortho-difluorobenzene 
• 33863-76-2 1-bromo-3-chloro-5-fluorobenzene 
• 5419-55-6 Triisopropyl borate 
• 109-72-8 n-butyllithium 
• 688-71-1 tri-n-propyl borate 

Downstream Products

• 6418-38-8 2,3-difluorophenol 
• 848652-17-5 3-(2,3-difluorophenyl)benzaldehyde 
• 852122-02-2 (+/-)-{[5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl }amine 
• 852122-83-9 (+/-)-{[7-(2,3-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}amine 
• 852123-26-3 (+/-)-{[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl}amine 
• 144292-53-5 1-(benzyloxy)-2,3-difluorobenzene 
• 144292-54-6 4-(benzyloxy)-2,3-difluorobenzoic acid 
• 404579-02-8 C₁₁H₁₀F₂O₃ 

Relevant articles and documents

Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives

Fluorination can be used to tune optoelectronic properties at the molecular level. A series of oligophenyls with various difluorinations of the phenyl rings has been synthesized, crystalized, structurally resolved and computationally analyzed for charge m

Synthesis and mesomorphic properties of laterally fluorinated alkyl 4′′-alkylterphenyl-4-yl carbonate liquid crystals

Fifteen series of homologues of a variety of mono-, di- and trifluorosubstituted alkyl 4′′-alkylterphenyl-4-yl carbonates have been synthesized and their mesomorphic properties have been determined. From among 95 prepared compounds, 40 pure nematogens have been found, as well as 55 mesogens with orthogonal and tilted smectic phases in broad temperature ranges. The type and combination of the LC phase strongly depend on the position and number of the fluorine atoms. Physical properties and correlations between the molecular core fluorosubstitution, the length of the terminal chains and the type and sequence of the liquid crystalline phases, have been determined. The compounds are useful for the formulation of nematic mixtures as well as ferroelectric ones.

Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy

A novel liquid crystalline carbonate and the mixture containing the same: wherein R3 is an alkyl (H2n+1Cn) or an alkenyl (H2n?1Cn) group, each of 1 to 12 carbon atoms, the ring A is laterally unsubstituted benze

Smectic-layer alignments of surface-modified gold nanoparticles in the nanocomposite induced by a hydrogen-bonded bent-core liquid crystalline host under electric fields

Packing tips: The layer spacing of 5.5 nm (see TEM image) of the nanocomposite VPy-SiA/AuNPs-S (5 wt %) under DC/AC electric fields perfectly matches the d spacing of 5.5 nm obtained by in situ XRD measurements under a DC electric field. TEM images revealed that the well-organized packing of layers of surface-modified gold NPs could be induced in the nanocomposite under electric fields. Copyright

New SmCG phases in a hydrogen-bonded bent-core liquid crystal featuring a branched siloxane terminal group

In this study, we synthesized three analogous bent-core molecules, a hydrogen-bonded complex and a covalent-bonded compound with branched siloxane units (H-SiO and C-SiO, respectively) and a hydrogen-bonded complex with an alkyl unit (H-Alk), and investigated the effects of the hydrogen bonding and branched siloxane terminal units on their mesomorphic properties. The covalent-bonded compound C-SiO and the hydrogen-bonded complex H-Alk exhibited typical SmCP phases; in contrast, the hydrogen-bonded complex H-SiO exhibited a series of general tilt smectic (SmCG) phases with highly ordered layer structures (i.e., SmCG2PF-USmCG2P A-SmCG2PF-SmCGPF upon cooling). During the SmCG-type phase transition process, a 2D-modulated ribbon structure transferred into highly ordered layers via undulated layers, as the hydrogen-bonding strength increased with reduced temperatures. As the SmCG domains were aligned under dc electric fields, a gradual decrease in the leaning angle from ca. 60° to 50° (while the tilt angle kept at ca. 31°) could be determined by in situ wide-angle X-ray scattering (WAXS). Combined with Fourier transform infrared and Raman spectroscopic data, our results suggest that the change in the leaning angle was governed by the competition of the hydrogen bonds and microsegregation of siloxane units within the bilayer structure of the hydrogen-bonded complex H-SiO. In addition, the ferroelectric-(antiferroelectric)-ferroelectric transitions proven by the switching current responses in the SmCG-type phases of H-SiO reveal that the polar switching occurred through collective rotations around the long axis of H-SiO. Therefore, novel SmCG phases with a series of highly ordered 2D-structures were induced by the effects of the hydrogen bonding and branched terminal siloxane unit in the bent-core hydrogen-bonded LC complex H-SiO.

V-Shaped switching and interlayer interactions in ferroelectric liquid crystals

Linear electrooptic responses in ferroelectric liquid crystals can be achieved via thresholdless switching. The molecular parameters for the design of ferroelectric liquid crystals that may yield a thresholdless response have not been delineated so far. In this article we explore some of the chemical design features that may be utilised in controlling switching processes, and we develop property-structure correlations in order to achieve materials that exhibit thresholdless behaviour. The Royal Society of Chemistry.

Bicyclic androgen and progesterone receptor modulator compounds and methods

The present invention is directed to compounds, pharmaceutical compositions, and methods for modulating processes mediated by AR and PR. More particularly, the invention relates to nonsteroidal compounds and compositions that are high affinity, high specificity agonists, partial agonists (i.e., partial activators and/or tissue-specific activators) and antagonists for AR and PR. Also provided are methods of making such compounds and pharmaceutical compositions, as well as critical intermediates used in their synthesis.

Tetracyclic progesterone receptor modulator compounds and methods

Nonsteroidal compounds that are high affinity, high selectivity modulators for progesterone receptors are disclosed. Also disclosed are pharmaceutical compositions incorporating such compounds, methods for employing the disclosed compounds and composition

Polymerizable compound, polymerizable resin composition, cured polymer and liquid crystal display device

The polymerizable compound of this invention is represented by general formula (I): where R is H, R′, R′O, R′COO, or R′OCO, R′ is a linear or branched alkyl group or alkenyl group having 1 to about 15 carbon atoms, A1 and A2 are independently a cyclohexane ring or a benzene ring which may include a substituent represented by formula (II) below; X is H or CH3; and Y1, Y2, Y3, and Y4 are independently H, F, Cl, CH3, CH3O, CF3, or CF3O wherein at least two of Y1, Y2, Y3, and Y4 are H and, if both A1 and A2 are cyclohexane rings, at least one of Y1, Y2, Y3, and Y4 is not H: where Y5, Y6, Y7, and Y8 are independently H, F, Cl, CH3, CH3O, CF3, or CF3O, at least two of Y5, Y6, Y7, and Y8 are H.

Bifunctional precursors for the preparation of liquid crystals

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