2-Fluoro-4-methylphenylboronic Acid - CAS 170981-26-7

Catalog:	BB012693
Product Name:	2-Fluoro-4-methylphenylboronic Acid
CAS:	170981-26-7
Synonyms:	(2-fluoro-4-methylphenyl)boronic acid; (2-fluoro-4-methylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-fluoro-4-methylphenyl)boronic acid
Description:	Reactant for: Water-accelerated Pd-Catalyzed Suzuki-Miyaura coupling.
Molecular Weight:	153.95
Molecular Formula:	C7H8FO2B
Canonical SMILES:	B(C1=C(C=C(C=C1)C)F)(O)O
InChI:	InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChI Key:	LIXXGOMAGHXIMP-UHFFFAOYSA-N
Melting Point:	228-233 °C (lit.)
Purity:	≥ 95 %
Appearance:	White to light brown powder or fibers
MDL:	MFCD05664239
LogP:	-0.18610

Publication Number	Title	Priority Date
CN-111592487-A	Hydroximic acid group-containing diarylethene LSD1/HDACs double-target inhibitor, and preparation method and application thereof	20200609
CN-111559990-A	Micromolecular oxathiazine derivative and application thereof	20200529
CN-111559990-B	Micromolecular oxathiazine derivative and application thereof	20200529
CN-111440137-A	3, 4-benzocoumarin derivative and preparation method and application thereof	20200428
WO-2021141041-A1	Therapeutic agent for tauopathies	20200107

PMID	Publication Date	Title	Journal
20669927	20101111	Medicinal chemistry as a conduit for the modulation of quorum sensing	Journal of medicinal chemistry

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Related Functional Groups

Boronic Acids and Esters

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1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[2246646-61-5]
2-(3-((4-Bromo-2-chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[2246736-67-2]
2-(3-((4-Bromo-2-fluorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.0601378
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	154.0601378
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0