5-Chloro-2-methoxyphenylboronic Acid - CAS 89694-48-4

Catalog:	BB039572
Product Name:	5-Chloro-2-methoxyphenylboronic Acid
CAS:	89694-48-4
Synonyms:	(5-chloro-2-methoxyphenyl)boronic acid; (5-chloro-2-methoxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(5-chloro-2-methoxyphenyl)boronic acid
Description:	Reactant for: Boron-Heck arylation; Suzuki-Miyaura reaction.
Molecular Weight:	186.40
Molecular Formula:	C7H8ClO3B
Canonical SMILES:	B(C1=C(C=CC(=C1)Cl)OC)(O)O
InChI:	InChI=1S/C7H8BClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:	FMBVAOHFMSQDGT-UHFFFAOYSA-N
Boiling Point:	360.2 °C at 760 mmHg
Melting Point:	134-141 °C (lit.)
Density:	1.32 g/cm³
Appearance:	White powder
MDL:	MFCD01318966
LogP:	0.02840

Publication Number	Title	Priority Date
CN-111777586-A	Preparation method of 10-chlorobenzo [ kl ] xanthene compound	20200729
WO-2021115335-A1	Compound as cyclin-dependent kinase 9 inhibitor and use thereof	20191209
KR-20210046568-A	Organic light emitting device	20191018
WO-2021075895-A1	Organic light-emitting device	20191018
WO-2020251974-A1	Smarca inhibitors and uses thereof	20190610

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Related Functional Groups

Boronic Acids and Esters

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GHS Hazard Statement:	H315 (90.91%): 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