3-Sulfamoylphenylboronic Acid - CAS 850568-74-0

Catalog:	BB037440
Product Name:	3-Sulfamoylphenylboronic Acid
CAS:	850568-74-0
Synonyms:	(3-sulfamoylphenyl)boronic acid; (3-sulfamoylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-sulfamoylphenyl)boronic acid
Description:	3-Sulfamoylphenylboronic Acid (CAS# 850568-74-0) is a useful research chemical.
Molecular Weight:	201.01
Molecular Formula:	C6H8NO4SB
Canonical SMILES:	B(C1=CC(=CC=C1)S(=O)(=O)N)(O)O
InChI:	InChI=1S/C6H8BNO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)
InChI Key:	PMNJSWJJYWZLHU-UHFFFAOYSA-N
Boiling Point:	496.9 °C at 760 mmHg
Density:	1.53 g/cm³
Appearance:	White solid
LogP:	-0.20510

Publication Number	Title	Priority Date
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
WO-2021180795-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
WO-2020242245-A1	Phthalazinone compounds and use thereof	20190529
US-2020003773-A1	Optical detection of biological components	20180405
WO-2019173761-A1	C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same	20180309

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Related Functional Groups

Boronic Acids and Esters

[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
[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:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.0267091
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	201.0267091
Rotatable Bond Count:	2
Topological Polar Surface Area:	109 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0