2-Chloro-5-methoxyphenylboronic Acid - CAS 89694-46-2

Catalog:	BB039570
Product Name:	2-Chloro-5-methoxyphenylboronic Acid
CAS:	89694-46-2
Synonyms:	(2-chloro-5-methoxyphenyl)boronic acid; (2-chloro-5-methoxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-chloro-5-methoxyphenyl)boronic acid
Description:	2-Chloro-5-methoxyphenylboronic Acid (CAS# 89694-46-2) is a useful research chemical.
Molecular Weight:	186.40
Molecular Formula:	C7H8ClO3B
Canonical SMILES:	B(C1=C(C=CC(=C1)OC)Cl)(O)O
InChI:	InChI=1S/C7H8BClO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChI Key:	REFXAANPQCJZRY-UHFFFAOYSA-N
Boiling Point:	354.8 °C at 760 mmHg
Density:	1.32 g/cm³
Appearance:	Solid
MDL:	MFCD06659858
LogP:	0.02840

Publication Number	Title	Priority Date
CN-112574216-A	Compound, preparation method thereof and application thereof in preparing anti-cancer drugs	20201216
CN-111116628-A	Organic compound and organic electroluminescent device using same	20191231
CN-111170974-A	Host compound and electroluminescent device using same	20191231
CN-112574224-A	KRAS G12C inhibitor and application thereof	20190930
WO-2021063346-A1	Kras g12c inhibitor and application thereof	20190930

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid

GHS Hazard Statement:	H302 (25%): 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:	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