2-Hydroxyphenylboronic Acid - CAS 89466-08-0

Catalog:	BB039490
Product Name:	2-Hydroxyphenylboronic Acid
CAS:	89466-08-0
Synonyms:	(2-hydroxyphenyl)boronic acid; (2-hydroxyphenyl)boronic acid

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Computed Properties

IUPAC Name:	(2-hydroxyphenyl)boronic acid
Description:	2-Hydroxyphenylboronic Acid (CAS# 89466-08-0) is a useful research chemical.
Molecular Weight:	137.93
Molecular Formula:	C6H7O3B
Canonical SMILES:	B(C1=CC=CC=C1O)(O)O
InChI:	InChI=1S/C6H7BO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8-10H
InChI Key:	YDMRDHQUQIVWBE-UHFFFAOYSA-N
Boiling Point:	327.3 °C at 760 mmHg
Flash Point:	Not applicable
Purity:	99 %
Density:	1.32 ± 0.1 g/mL
Appearance:	White powder
MDL:	MFCD01074581
LogP:	-0.92800

Publication Number	Title	Priority Date
CN-113264911-A	Compound, organic light-emitting material and organic electroluminescent device	20210430
CN-113058646-A	Heterogeneous hindered Lewis acid-base pair catalyst and preparation method and application thereof	20210326
CN-112341470-A	Electron transport material, organic electroluminescent device and display device	20200929
CN-111943971-A	Preparation method of boric acid derivative	20200917
CN-112047970-A	Method for preparing boric acid derivative	20200917

PMID	Publication Date	Title	Journal
22250781	20120308	Identification of novel adenosine A(2A) receptor antagonists by virtual screening	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (18.18%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.0488242
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	138.0488242
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0