3-Ethoxy-4-nitroaniline - CAS 116435-75-7

Catalog:	BB003754
Product Name:	3-Ethoxy-4-nitroaniline
CAS:	116435-75-7
Synonyms:	3-ethoxy-4-nitroaniline; 3-ethoxy-4-nitroaniline

Technical Data

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Computed Properties

IUPAC Name:	3-ethoxy-4-nitroaniline
Description:	3-Ethoxy-4-nitroaniline (CAS# 116435-75-7 ) is a useful research chemical.
Molecular Weight:	182.18
Molecular Formula:	C8H10N2O3
Canonical SMILES:	CCOC1=C(C=CC(=C1)N)[N+](=O)[O-]
InChI:	InChI=1S/C8H10N2O3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2,9H2,1H3
InChI Key:	PQKLWSDPMIJHSY-UHFFFAOYSA-N
LogP:	2.68010

Publication Number	Title	Priority Date
CN-113336742-A	Synthesis method of pyrroltinib maleate intermediate	20210629
US-2020190091-A1	Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application	20170901
WO-2019042409-A1	Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application thereof	20170901
EP-3677583-A1	Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application	20170901
US-10246444-B2	1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions	20170121

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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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.06914219
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.06914219
Rotatable Bond Count:	2
Topological Polar Surface Area:	81.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4