1-Methylimidazole-5-boronic Acid Pinacol Ester - CAS 942070-72-6

Catalog:	BB041225
Product Name:	1-Methylimidazole-5-boronic Acid Pinacol Ester
CAS:	942070-72-6
Synonyms:	1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole; 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
Description:	1-Methylimidazole-5-boronic Acid Pinacol Ester (CAS# 942070-72-6) is a useful research chemical.
Molecular Weight:	208.07
Molecular Formula:	C10H17N2O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN=CN2C
InChI:	InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-7-13(8)5/h6-7H,1-5H3
InChI Key:	SNKPPKAANOYIRX-UHFFFAOYSA-N
Appearance:	Solid
LogP:	0.71930

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[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
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.1383080
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.1383080
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0