2-((2-Chloro-4-nitrophenoxy)methyl)pyridine
Basic information
- CAS
179687-79-7- 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 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Upstream & downstream products
Upstream raw materials
Related reactions
28 records
Compound notes
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