4-Hydroxy-2-methylphenylboronic Acid - CAS 493035-82-8

Catalog:	BB026689
Product Name:	4-Hydroxy-2-methylphenylboronic Acid
CAS:	493035-82-8
Synonyms:	(4-hydroxy-2-methylphenyl)boronic acid; (4-hydroxy-2-methylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-hydroxy-2-methylphenyl)boronic acid
Description:	One of the impurities of Tavaborole, which is effective against lots of fungi.
Molecular Weight:	151.96
Molecular Formula:	C7H9O3B
Canonical SMILES:	B(C1=C(C=C(C=C1)O)C)(O)O
InChI:	InChI=1S/C7H9BO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9-11H,1H3
InChI Key:	OYIYNIONWDBJIF-UHFFFAOYSA-N
Boiling Point:	361.4 °C at 760 mmHg
Flash Point:	Not applicable
Purity:	98 %
Density:	1.26 g/cm³
Appearance:	Solid
LogP:	-0.61960

Publication Number	Title	Priority Date
US-2020397697-A1	Formulations of tie-2 activators and methods of use thereof	20190624
WO-2020009176-A1	Amide compound having bet proteolysis-inducing action and medicinal application thereof	20180704
JP-2020186251-A	Amide compounds with BET proteolysis-inducing action and their uses as pharmaceuticals	20180704
JP-6744516-B2	Amide compound having BET proteolysis-inducing action and use thereof as a medicine	20180704
JP-WO2020009176-A1	Amide compound having a BET proteolysis-inducing action and use thereof as a medicine	20180704

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GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.0644743
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	152.0644743
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0