Cas no 768-35-4 ((3-fluorophenyl)boronic acid)
(3-fluorophenyl)boronic acid Chemical and Physical Properties
Names and Identifiers
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- (3-Fluorophenyl)boronic acid
- AKOS BRN-0105
- 3-FLUOROBENZENEBORONIC ACID
- 3-FLUORO PHENYLBORIC ACID
- 3-FLUOROPHENYLBORNIC ACID
- 3-FLUOROPHENYLBORONIC ACID
- RARECHEM AH PB 0217
- M-FLUOROPHENYLBORONIC ACID
- 3-Fluorophenylboronic Acid (contains varying amounts of Anhydride)
- (3-Fluorophenyl-1-yl)boronic acid
- m-fluoro-Benzeneboronic acid
- 3-Fluorobenzeneboronic Acid (contains varying amounts of Anhydride)
- 3-fluorophenyl boronic acid
- (3-Fluorophenyl)Boranediol
- FPBA
- Boronic acid, (3-fluorophenyl)-
- Boronic acid, B-(3-fluorophenyl)-
- m-fluorobenzeneboronic acid
- PubChem1857
- 3-flurophenylboronic acid
- 3-fluorphenylboronic acid
- 3-
- 3-Fluorobenzeneboronic acid,98%
- 3-FLUOROBENZYLBORONIC ACID
- (3-fluorophenyl) boronic acid
- MFCD00236042
- dihydroxy(3-fluorophenyl)borane
- (3-fluorophenyl)-boronic acid
- 3-fluorophenyl-boronic acid
- ALBB-006113
- AKOS000266286
- 3-Fluorophenylboronic acid, >=95.0%
- F0404
- 3-fluorobenzene-boronic acid
- STK503715
- BCP13763
- AS-2592
- 3-fluoro phenylboronic acid
- 3-flourobenzene boronic acid
- DTXSID10370069
- AC-5355
- 3-fluoro-phenyl-boronic acid
- CS-D1463
- 3-fluoro-phenyl boronic acid
- EN300-73570
- 3-fluoro-phenylboronic acid
- 3-fluoro-benzeneboronic acid
- (3-fluoro-phenyl)-boronic acid
- NCGC00249457-01
- Z381540934
- AB05340
- 3-fluorophenyl dihydroxyborane
- (3-fluoro-phenyl)boronic acid
- SY002210
- B-(3-fluorophenyl)-boronic acid
- 3-fluorophenyl boronicacid
- 3-fluorobenzene boronic acid
- (3-fluorophenyl)boronicacid
- 768-35-4
- Q-102214
- 3-flourophenylboronic acid
- DTXCID40321105
- BP-11411
- DB-010593
- SCHEMBL4933
- (3-fluorophenyl)boronic acid
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- MDL: MFCD00236042
- Inchi: 1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
- InChI Key: KNXQDJCZSVHEIW-UHFFFAOYSA-N
- SMILES: FC1=C([H])C([H])=C([H])C(B(O[H])O[H])=C1[H]
- BRN: 3030632
Computed Properties
- Exact Mass: 140.04400
- Monoisotopic Mass: 140.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: White to Yellow Solid
- Density: 1.2400
- Melting Point: 214-218?°C (lit.)
- Boiling Point: 271.4 °C at 760 mmHg
- Flash Point: 271.4 °C at 760 mmHg
- PSA: 40.46000
- LogP: -0.49450
- Solubility: Not determined
(3-fluorophenyl)boronic acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: R36/37/38
- Safety Instruction: S22-S24/25-S37/39-S26
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Inert atmosphere,2-8°C
- Safety Term:S26;S37/39
- Risk Phrases:R36/37/38
(3-fluorophenyl)boronic acid Customs Data
- HS CODE:2931900090
- Customs Data:
China Customs Code:
2931900090Overview:
2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%
Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%
(3-fluorophenyl)boronic acid Pricemore >>
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(3-fluorophenyl)boronic acid Suppliers
(3-fluorophenyl)boronic acid Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
Additional information on (3-fluorophenyl)boronic acid
Introduction to (3-fluorophenyl)boronic Acid (CAS No. 768-35-4)
(3-fluorophenyl)boronic acid is a significant compound in the field of organic chemistry and pharmaceutical research, characterized by its molecular formula C6H5BF2O2 and a CAS number of 768-35-4. This boronic acid derivative has garnered considerable attention due to its versatile applications in synthetic chemistry, particularly in Suzuki-Miyaura cross-coupling reactions, which are pivotal for constructing complex molecular architectures in drug development.
The 3-fluorophenyl substituent imparts unique electronic properties to the molecule, making it a valuable intermediate in the synthesis of fluorinated pharmaceuticals. Fluorine atoms are frequently incorporated into drug molecules to enhance metabolic stability, improve binding affinity, and modulate pharmacokinetic profiles. The presence of the boronic acid functional group further facilitates its role as a key building block in various chemical transformations.
In recent years, the pharmaceutical industry has witnessed a surge in the demand for boronic acid derivatives due to their utility in targeted drug delivery systems and as intermediates for antiviral and anticancer agents. The (3-fluorophenyl)boronic acid derivative, in particular, has been explored for its potential in developing novel therapeutics that leverage the benefits of boron-containing compounds.
One of the most prominent applications of (3-fluorophenyl)boronic acid is in the context of photodynamic therapy (PDT), where it serves as a precursor for designing photosensitizers that can selectively target and destroy cancer cells. The fluorine atom's electron-withdrawing effect enhances the compound's ability to absorb light at specific wavelengths, thereby improving the efficiency of PDT treatments. Recent studies have demonstrated its efficacy in combination with other therapeutic modalities, such as chemotherapy and radiation therapy.
The compound's reactivity also makes it an excellent candidate for material science applications. For instance, it has been utilized in the synthesis of organic electronic materials, where its ability to form stable bonds with other organic molecules contributes to the development of more durable and efficient electronic devices. Researchers have reported its use in creating conductive polymers and organic semiconductors that exhibit superior performance characteristics.
From an academic research perspective, (3-fluorophenyl)boronic acid continues to be a subject of extensive investigation. Scientists are exploring novel synthetic pathways to optimize its production and purity, ensuring that it meets the stringent requirements of pharmaceutical manufacturing. Additionally, computational studies have been conducted to elucidate its mechanistic pathways, providing insights into how it interacts with other molecules during chemical reactions.
The integration of (3-fluorophenyl)boronic acid into drug discovery pipelines has been particularly noteworthy. Its role as a chiral auxiliary in asymmetric synthesis has enabled the production of enantiomerically pure compounds, which are often essential for achieving desired pharmacological effects. Furthermore, its compatibility with green chemistry principles has made it an attractive choice for sustainable drug development practices.
In conclusion, (3-fluorophenyl)boronic acid stands out as a multifaceted compound with broad applications across various scientific disciplines. Its unique structural and electronic properties make it indispensable in pharmaceutical research, material science, and advanced chemical synthesis. As our understanding of its capabilities continues to evolve, so too will its contributions to innovation and therapeutic advancements.
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