1-Azido-4-ethoxybenzene - CAS 98488-09-6

Catalog:	BB075573
Product Name:	1-Azido-4-ethoxybenzene
CAS:	98488-09-6
Synonyms:	4-Ethoxyphenyl Azide

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-azido-4-ethoxybenzene
Description:	1-azido-4-ethoxybenzene (cas# 98488-09-6) is a useful research chemical used as a reactant in the preparation of HIV-1 protease inhibitory and antibacterial activity of ((imidazolyl)diarylmethyl)-methyl-aryl triazoles.
Molecular Weight:	163.18
Molecular Formula:	C8H9N3O
Canonical SMILES:	CCOC1=CC=C(C=C1)N=[N+]=[N-]
InChI:	InChI=1S/C8H9N3O/c1-2-12-8-5-3-7(4-6-8)10-11-9/h3-6H,2H2,1H3
InChI Key:	SGDQVLYEAQRXDR-UHFFFAOYSA-N
References:	Dong, H., et al. J. Mol. Struct. 1256, 132516, (2022).

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P405, and P501
Signal Word:	Danger

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.074561919
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.074561919
Rotatable Bond Count:	3
Topological Polar Surface Area:	23.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2