tert-Butylboronic Acid Pinacol Ester - CAS 99810-76-1

Catalog:	BB042343
Product Name:	tert-Butylboronic Acid Pinacol Ester
CAS:	99810-76-1
Synonyms:	2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	tert-Butylboronic Acid Pinacol Ester (CAS# 99810-76-1) is a useful research chemical.
Molecular Weight:	184.08
Molecular Formula:	C10H21O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C(C)(C)C
InChI:	InChI=1S/C10H21BO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11/h1-7H3
InChI Key:	ZQEPUUOQJIWIFJ-UHFFFAOYSA-N
Boiling Point:	186.518 °C at 760 mmHg
Density:	0.872 g/cm³
Appearance:	Liquid
MDL:	MFCD06657801
LogP:	2.87870

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[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
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester

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:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.1634601
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.1634601
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0