2-((2-Chloro-4-nitrophenoxy)methyl)pyridine

Neratinib Impurity 35 · 2-((4-chloro-3-nitrophenoxy)methyl)pyridine · 2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine · Pyridine, 2-[(2-chloro-4-nitrophenoxy)methyl]- · 3-Chloro-4-(2-pyridinylmethoxy)-1-nitrobenzene

https://huagongshe.com/en/chemical/17469433

2-((2-Chloro-4-nitrophenoxy)methyl)pyridine molecular structure

Identifiers & Physical Properties

CAS No.	179687-79-7
Molecular formula	C12H9ClN2O3
Average molar mass	264.66 g/mol
Monoisotopic mass	264.03016983 g/mol
SMILES	O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1
InChIKey	GWYKHOLLVPAQFF-UHFFFAOYSA-N
PubChem CID	17469433
EC No.	605-865-3
DTXSID	DTXSID70589630

Chemical & Physical Properties

XLogP	2.8
Topological polar surface area	67.9
Hydrogen bond donors	0
Hydrogen bond acceptors	4
Rotatable bonds	3
Heavy atoms	18
Formal charge	0
Complexity	285
Storage conditions	Inert atmosphere,Room Temperature
Appearance	Light brown to brown Powder
FDA UNII	789FX466M2
REACH registrations	Active

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatory information	Status: Active Update: 27-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7519
Hazard Classes and Categories	Not Classified
REACH registrations	Active

Applications & Uses

Uses

3-Chloro-4-(2-pyridylmethyloxy)nitrobenzene was used to synthesize aniline ''headgroups'' and incorporat them into an alkynyl thienopyrimidine series of EGFR and ErbB-2 inhibitors.