4-Chloro-3-(methoxycarbonyl)phenylboronic Acid - CAS 874219-45-1

Catalog:	BB038435
Product Name:	4-Chloro-3-(methoxycarbonyl)phenylboronic Acid
CAS:	874219-45-1
Synonyms:	(4-chloro-3-methoxycarbonylphenyl)boronic acid; (4-chloro-3-methoxycarbonylphenyl)boronic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	(4-chloro-3-methoxycarbonylphenyl)boronic acid
Description:	4-Chloro-3-(methoxycarbonyl)phenylboronic Acid (CAS# 874219-45-1) is a useful research chemical.
Molecular Weight:	214.41
Molecular Formula:	C8H8ClO4B
Canonical SMILES:	B(C1=CC(=C(C=C1)Cl)C(=O)OC)(O)O
InChI:	InChI=1S/C8H8BClO4/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,12-13H,1H3
InChI Key:	YEPWHDGFBVDINZ-UHFFFAOYSA-N
Boiling Point:	384.205 °C at 760 mmHg
Density:	1.39 g/cm³
Appearance:	White solid
MDL:	MFCD06801690
LogP:	-0.19360

Publication Number	Title	Priority Date
WO-2020164993-A1	Pesticidally active pyrazole derivatives	20190213
WO-2020164994-A1	Pesticidally active pyrazole derivatives	20190213
CN-111050559-A	Pesticidally active pyrazole derivatives	20170811
EP-3664611-A1	Pesticidally active pyrazole derivatives	20170811
WO-2019030359-A1	PYRAZOLE DERIVATIVES WITH PESTICIDE ACTIVITY	20170811

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Related Functional Groups

Boronic Acids and Esters

[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

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:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.0204166
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.0204166
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0