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2-(2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 1232132-73-8

Catalog:	BB073015
Product Name:	2-(2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	1232132-73-8
Synonyms:	2-(2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2,3-Dimethylphenylboronic acid pinacol ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Molecular Weight:	232.13
Molecular Formula:	C14H21BO2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)C)C
InChI:	InChI=1S/C14H21BO2/c1-10-8-7-9-12(11(10)2)15-16-13(3,4)14(5,6)17-15/h7-9H,1-6H3
InChI Key:	JKDFOFHMRVPTMO-UHFFFAOYSA-N

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.1634601
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.1634601
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0