2-Amino-4-chlorophenylboronic Acid Pinacol Ester - CAS 863578-21-6

Catalog:	BB037900
Product Name:	2-Amino-4-chlorophenylboronic Acid Pinacol Ester
CAS:	863578-21-6
Synonyms:	5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Description:	2-Amino-4-chlorophenylboronic Acid Pinacol Ester (CAS# 863578-21-6) is a useful research chemical.
Molecular Weight:	253.53
Molecular Formula:	C12H17ClNO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)N
InChI:	InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(14)7-10(9)15/h5-7H,15H2,1-4H3
InChI Key:	ZEZOXGCBIPAXOT-UHFFFAOYSA-N
LogP:	2.80260

Publication Number	Title	Priority Date
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
KR-102219562-B1	Heterocyclic compound and organic light emitting device using the same	20190823
WO-2021040310-A1	Heterocyclic compound, and organic light-emitting element using same	20190823
CN-111406057-A	Heterocyclic compound and organic light-emitting device comprising same	20180919
TW-202026297-A	Heterocyclic compound and organic light emitting device comprising the same	20180919

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[2005430-90-8]
3-[[2-(Trimethylsilyl)ethoxy]methyl]-3H-imidazo[4,5-b]pyridine-6-boronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (50%): 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:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.1040866
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.1040866
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0