4-Chloro-2-methoxyphenylboronic Acid - CAS 762287-57-0

Catalog:	BB035528
Product Name:	4-Chloro-2-methoxyphenylboronic Acid
CAS:	762287-57-0
Synonyms:	(4-chloro-2-methoxyphenyl)boronic acid; (4-chloro-2-methoxyphenyl)boronic acid

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Computed Properties

IUPAC Name:	(4-chloro-2-methoxyphenyl)boronic acid
Description:	4-Chloro-2-methoxyphenylboronic Acid (CAS# 762287-57-0) is a useful research chemical.
Molecular Weight:	186.40
Molecular Formula:	C7H8ClO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)Cl)OC)(O)O
InChI:	InChI=1S/C7H8BClO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:	NZRRMTBNTSBIFH-UHFFFAOYSA-N
Boiling Point:	345.4 °C at 760 mmHg
Density:	1.325 g/cm³
Appearance:	White crystalline solid
MDL:	MFCD02684317
LogP:	0.02840

Publication Number	Title	Priority Date
CN-113372321-A	Organic compound, and electronic device and apparatus comprising the same	20200309
WO-2021179880-A1	Nitrogen-containing organic compound, and electronic device and apparatus comprising same	20200309
KR-20210112838-A	Organic light emitting device and composition for organic layer of organic light emitting device	20200306
KR-20210054733-A	Heterocyclic compound, organic light emitting device comprising same, composition for organic layer of organic light emitting device and manufacturing method of organic light emitting device	20191106
WO-2021091259-A1	Heterocyclic compound, organic light-emitting device comprising same, composition for organic material layer of organic light-emitting device, and method for manufacturing organic light-emitting device	20191106

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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:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0255020
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.0255020
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0