4-Quinolineboronic Acid Pinacol Ester - CAS 1035458-54-8

Catalog:	BB001173
Product Name:	4-Quinolineboronic Acid Pinacol Ester
CAS:	1035458-54-8
Synonyms:	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Description:	4-Quinolineboronic Acid Pinacol Ester (CAS# 1035458-54-8) is a useful research chemical.
Molecular Weight:	255.12
Molecular Formula:	C15H18NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=NC3=CC=CC=C23
InChI:	InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-10-17-13-8-6-5-7-11(12)13/h5-10H,1-4H3
InChI Key:	LJFSIDNUMPTTAF-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD05155221
LogP:	2.53400

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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
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic 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:	329
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.1430590
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.1430590
Rotatable Bond Count:	1
Topological Polar Surface Area:	31.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0