4-Chloro-3-methoxyphenylboronic Acid - CAS 89694-47-3

Catalog:	BB039571
Product Name:	4-Chloro-3-methoxyphenylboronic Acid
CAS:	89694-47-3
Synonyms:	(4-chloro-3-methoxyphenyl)boronic acid; (4-chloro-3-methoxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-chloro-3-methoxyphenyl)boronic acid
Description:	4-Chloro-3-methoxyphenylboronic Acid (CAS# 89694-47-3) is a useful research chemical.
Molecular Weight:	186.40
Molecular Formula:	C7H8ClO3B
Canonical SMILES:	B(C1=CC(=C(C=C1)Cl)OC)(O)O
InChI:	InChI=1S/C7H8BClO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3
InChI Key:	DZNNRXURZJLARZ-UHFFFAOYSA-N
Boiling Point:	341.651 °C at 760 mmHg
Density:	1.325 g/cm³
MDL:	MFCD01318965
LogP:	0.02840

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Related Functional Groups

Boronic Acids and Esters

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2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (75%): 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