3-Fluoro-4-methylphenylboronic Acid - CAS 168267-99-0

Catalog:	BB012463
Product Name:	3-Fluoro-4-methylphenylboronic Acid
CAS:	168267-99-0
Synonyms:	(3-fluoro-4-methylphenyl)boronic acid; (3-fluoro-4-methylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(3-fluoro-4-methylphenyl)boronic acid
Description:	3-Fluoro-4-methylphenylboronic Acid (CAS# 168267-99-0) is an inhibitor of bacterial quorum sensing in Vibrio harveyi.
Molecular Weight:	153.95
Molecular Formula:	C7H8FO2B
Canonical SMILES:	B(C1=CC(=C(C=C1)C)F)(O)O
InChI:	InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
InChI Key:	WPVBHUUZDFUIJA-UHFFFAOYSA-N
Boiling Point:	345.1 °C at 760 mmHg
Density:	1.22 g/cm³
MDL:	MFCD02683115
LogP:	-0.18610

Publication Number	Title	Priority Date
CN-112851671-A	4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof	20210208
CN-112939971-A	Coumarin compound and preparation method and application thereof	20210208
WO-2021193349-A1	Hydrophilic oil repellent polymer	20200324
WO-2021173917-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20200228
US-2021261587-A1	STRAD-binding agents and Uses Thereof	20200130

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

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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