(Bromomethyl)boronic Acid Pinacol Ester - CAS 166330-03-6

Catalog:	BB012269
Product Name:	(Bromomethyl)boronic Acid Pinacol Ester
CAS:	166330-03-6
Synonyms:	2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

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Computed Properties

IUPAC Name:	2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	(Bromomethyl)boronic Acid Pinacol Ester (CAS# 166330-03-6) is a useful research chemical.
Molecular Weight:	220.90
Molecular Formula:	C7H14BrO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)CBr
InChI:	InChI=1S/C7H14BBrO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3
InChI Key:	KBGMAXNDJAGTDD-UHFFFAOYSA-N
Boiling Point:	68 °C / 6 mmHg
Density:	1.26 g/cm³
Appearance:	Clear liquid
MDL:	MFCD09271779
LogP:	2.43100

Publication Number	Title	Priority Date
WO-2021138390-A1	Multimodal fluorine-cy3/5/7-dota-hapten compositions, diagnostics, fluorescence guided surgery and radioimmunotherapy	20191231
EP-3764434-A1	Elimination of voltage-delays and stabilisation of impedance through electrolyte additives in alkaline metal chemical cells	20190710
WO-2021000855-A1	Malt1 inhibitors and uses thereof	20190701
CN-110156820-B	Mercaptoamide boronic acid derivatives and application thereof as MBL (sodium Bromide) and/or SBL (SBL) inhibitor	20190425
WO-2020140001-A1	Quinazoline derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20181228

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Related Functional Groups

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GHS Hazard Statement:	H226 (33.33%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.02702
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.02702
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0