3,4,5-Trimethoxyphenylboronic Acid - CAS 182163-96-8

Catalog:	BB013879
Product Name:	3,4,5-Trimethoxyphenylboronic Acid
CAS:	182163-96-8
Synonyms:	(3,4,5-trimethoxyphenyl)boronic acid; (3,4,5-trimethoxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	(3,4,5-trimethoxyphenyl)boronic acid
Description:	3,4,5-Trimethoxyphenylboronic Acid (CAS# 182163-96-8) is a useful research chemical.
Molecular Weight:	212.01
Molecular Formula:	C9H13O5B
Canonical SMILES:	B(C1=CC(=C(C(=C1)OC)OC)OC)(O)O
InChI:	InChI=1S/C9H13BO5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
InChI Key:	RULQUTYJXDLRFL-UHFFFAOYSA-N
Boiling Point:	370.6 °C / 760 mmHg
Density:	1.21 g/cm³
Storage:	Keep in dark place. Sealed in dry. Room temperature.
MDL:	MFCD01075676
LogP:	-0.60780

Publication Number	Title	Priority Date
CN-112574216-A	Compound, preparation method thereof and application thereof in preparing anti-cancer drugs	20201216
CN-112062758-A	Selenophenol quinoline derivative and preparation method and application thereof	20200828
CN-113354651-A	Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines	20200730
CN-111675657-A	Dehydroabietic acid based 2, 4-diaryl benzimidazole ferric ion and mercury ion fluorescent probe and preparation method and application thereof	20200720
CN-111689994-A	Organic conjugated molecular material with bifluorene Aza-BODIPY as basic skeleton and preparation method and application thereof	20200605

PMID	Publication Date	Title	Journal
20936789	20101111	Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization	Journal of medicinal chemistry

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid

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:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0856037
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	212.0856037
Rotatable Bond Count:	4
Topological Polar Surface Area:	68.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0