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2-(2-(Azidomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-(Azidomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 1223598-41-1

Catalog:	BB074244
Product Name:	2-(2-(Azidomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	1223598-41-1
Synonyms:	2-(2-(azidomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[2-(azidomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(AzidoMethyl)benzeneboronic acid pinacol ester, 95per cent

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-[2-(azidomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Molecular Weight:	259.11
Molecular Formula:	C13H18BN3O2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CN=[N+]=[N-]
InChI:	InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)11-8-6-5-7-10(11)9-16-17-15/h5-8H,9H2,1-4H3
InChI Key:	DWSJHXRRSHEEOE-UHFFFAOYSA-N

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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:	364
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.149207
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.149207
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0