3-(Methylsulfonyl)phenylboronic Acid - CAS 373384-18-0

Catalog:	BB023257
Product Name:	3-(Methylsulfonyl)phenylboronic Acid
CAS:	373384-18-0
Synonyms:	(3-methylsulfonylphenyl)boronic acid; (3-methylsulfonylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-methylsulfonylphenyl)boronic acid
Description:	3-(Methylsulfonyl)phenylboronic Acid (CAS# 373384-18-0) is a useful research chemical.
Molecular Weight:	200.02
Molecular Formula:	C7H9O4SB
Canonical SMILES:	B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O
InChI:	InChI=1S/C7H9BO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:	HZFFUMBZBGETES-UHFFFAOYSA-N
Boiling Point:	478.3 °C at 760 mmHg
Flash Point:	Not applicable
Density:	1.39 g/cm³
MDL:	MFCD03092935
LogP:	-0.14930

Publication Number	Title	Priority Date
WO-2021203023-A1	Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306
WO-2021143927-A1	Compound acting as bcr-abl inhibitor	20200119
WO-2021113263-A1	Crf receptor antagonists and methods of use	20191204
WO-2021012014-A1	Difluorohaloallylamine sulfone derivative inhibitors of lysyl oxidases, methods of preparation, and uses thereof	20190725

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic 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:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.0314601
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.0314601
Rotatable Bond Count:	2
Topological Polar Surface Area:	83 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0