4-Chloro-2-formylphenylboronic Acid - CAS 913835-76-4

Catalog:	BB040146
Product Name:	4-Chloro-2-formylphenylboronic Acid
CAS:	913835-76-4
Synonyms:	(4-chloro-2-formylphenyl)boronic acid; (4-chloro-2-formylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-chloro-2-formylphenyl)boronic acid
Description:	4-Chloro-2-formylphenylboronic Acid (CAS# 913835-76-4) is a reagent in the synthesis of tetracyclic indole-based macrocycles as finger loop inhibitors of the HCV NS5b polymerase.
Molecular Weight:	184.38
Molecular Formula:	C7H6ClO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)Cl)C=O)(O)O
InChI:	InChI=1S/C7H6BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H
InChI Key:	BTQFQGHQBOWNAJ-UHFFFAOYSA-N
Boiling Point:	371.8 °C at 760 mmHg
Density:	1.4 g/cm³
MDL:	MFCD08689492
LogP:	-0.16770

Publication Number	Title	Priority Date
CN-112939880-A	Organic compound, and electronic element and electronic device using same	20210210
CN-112538048-A	Organic compound, electronic element containing organic compound and electronic device	20201210
CN-112341343-A	Organic compound, electronic element containing organic compound and electronic device	20201104
WO-2020264581-A1	Boron containing compounds and their uses	20190628
US-2019375753-A1	Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses	20180605

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Related Functional Groups

Boronic Acids and Esters

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2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
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3-[(2-Methoxyethoxy)methyl]phenylboronic Acid
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0098519
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	184.0098519
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0