3-Fluoro-2-methylphenylboronic Acid - CAS 163517-61-1

Catalog:	BB012006
Product Name:	3-Fluoro-2-methylphenylboronic Acid
CAS:	163517-61-1
Synonyms:	(3-fluoro-2-methylphenyl)boronic acid; (3-fluoro-2-methylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-fluoro-2-methylphenyl)boronic acid
Description:	3-Fluoro-2-methylphenylboronic Acid (CAS# 163517-61-1) is a useful research chemical.
Molecular Weight:	153.95
Molecular Formula:	C7H8FO2B
Canonical SMILES:	B(C1=C(C(=CC=C1)F)C)(O)O
InChI:	InChI=1S/C7H8BFO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
InChI Key:	NYBIUWJUWTUGFV-UHFFFAOYSA-N
Boiling Point:	286.8 °C at 760 mmHg
Density:	1.2 g/cm³
MDL:	MFCD07368679
LogP:	-0.18610

Publication Number	Title	Priority Date
US-2021269434-A1	Tricyclic compounds as inhibitors of kras	20200110
WO-2021041671-A1	Kras g12d inhibitors	20190829
WO-2020223255-A1	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
TW-202106669-A	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
US-2020270246-A1	Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders	20190222

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Related Functional Groups

Boronic Acids and Esters

[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[850623-36-8]
Potassium (4-Cyanophenyl)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