1-(3-Azidophenyl)ethan-1-one - CAS 70334-60-0

Name: 1-(3-Azidophenyl)ethan-1-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB073250
Product Name:	1-(3-Azidophenyl)ethan-1-one
CAS:	70334-60-0
Synonyms:	1-(3-azidophenyl)ethanone; Ethanone, 1-(3-azidophenyl)-; 1-(3-azidophenyl)ethan-1-one; 3-acetylphenylazide; 3'-Azidoacetophenone

Technical Data

IUPAC Name:	1-(3-azidophenyl)ethanone
Description:	1-(3-azidophenyl)ethan-1-one (cas# 70334-60-0) is a useful reagent for chemical synthesis. It is uesed in the preparation of amides via rhodium-catalyzed oxidative amidation of aldehydes with azides through chelation-assisted C-H activation. It is also used in preparation of triazole derivatives via zinc-mediated azide-alkyne ligation.
Molecular Weight:	161.16
Molecular Formula:	C8H7N3O
Canonical SMILES:	CC(=O)C1=CC(=CC=C1)N=[N+]=[N-]
InChI:	InChI=1S/C8H7N3O/c1-6(12)7-3-2-4-8(5-7)10-11-9/h2-5H,1H3
InChI Key:	HANPLRJJHYSJSF-UHFFFAOYSA-N

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P301+P316, P319, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.058911855
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.058911855
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5