2-Fluoro-5-methylphenylboronic Acid - CAS 166328-16-1

Catalog:	BB012268
Product Name:	2-Fluoro-5-methylphenylboronic Acid
CAS:	166328-16-1
Synonyms:	(2-fluoro-5-methylphenyl)boronic acid; (2-fluoro-5-methylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-fluoro-5-methylphenyl)boronic acid
Description:	2-Fluoro-5-methylphenylboronic Acid (CAS# 166328-16-1) is a useful research chemical.
Molecular Weight:	153.95
Molecular Formula:	C7H8FO2B
Canonical SMILES:	B(C1=C(C=CC(=C1)C)F)(O)O
InChI:	InChI=1S/C7H8BFO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChI Key:	ZLODKAZZRDLUKX-UHFFFAOYSA-N
Boiling Point:	291.432 °C at 760 mmHg
Melting Point:	77-82 °C (lit.)
Purity:	≥ 95 %
Density:	1.203 g/cm³
MDL:	MFCD03428512
LogP:	-0.18610

Publication Number	Title	Priority Date
CN-111961073-A	Continuous synthesis method of arylboronic acid	20200908
CN-111440137-A	3, 4-benzocoumarin derivative and preparation method and application thereof	20200428
WO-2021084498-A1	Fluorinated quinoline, quinoxaline and benzo[b][1,4]oxazine derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases	20191101
WO-2021032992-A1	Pharmaceutical compounds	20190820
US-2020308204-A1	Organic electroluminescent materials and devices	20190327

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Related Functional Groups

Boronic Acids and Esters

[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester

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