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

HCID 17469433CAS 179687-79-7

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Basic information

Standard SMILES: O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1
InChIKey: GWYKHOLLVPAQFF-UHFFFAOYSA-N
Molecular formula: C12H9ClN2O3
Average molar mass: 264.66 g/mol
Monoisotopic mass: 264.03016983

Names & identifiers

Preferred name: 2-((2-Chloro-4-nitrophenoxy)methyl)pyridine
IUPAC: 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine
English name: 2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine
Molecular formula: C12H9ClN2O3
Molecular weight: 264.66

Names & synonyms

179687-79-72-((2-Chloro-4-nitrophenoxy)methyl)pyridine2-[(2-CHLORO-4-NITROPHENOXY)METHYL]PYRIDINEPyridine, 2-[(2-chloro-4-nitrophenoxy)methyl]-3-chloro-4-(2-pyridinylmethoxy)-1-nitrobenzene3-Chloro-4-(2-pyridylmethyloxy)nitrobenzene789FX466M2DTXSID70589630EC 605-865-3Pyridine, 2-((2-chloro-4-nitrophenoxy)methyl)-RefChem:83662DTXCID40540394

Show more names

2-((4-chloro-3-nitrophenoxy)methyl)pyridine

pyridine,2-((2-chloro-4-nitrophenoxy)methyl)-605-865-3MFCD09380073Neratinib Impurity 353-Chloro-4-(2-pyridylmethoxy)nitrobenzene2-[(2-chloro-4-nitro-phenoxy)methyl]pyridineSCHEMBL215759SCHEMBL29780767

Database identifiers

CAS: 179687-79-7
PubChem CID: 17469433
DTXSID: DTXSID70589630
UNII: 789FX466M2
EC Number: 605-865-3

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 285

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
Appearance: Light brown to brown Powder
FDA UNII: 789 FX466M2 · 789FX466M2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 27-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7519

Hazard Classes and CategoriesNot Classified

Safety data

REACH Registrations: Active

Chemistry & industry

Applications

Uses3-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.