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

HCID 17469433CAS 179687-79-7

基本情報

標準SMILES: O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1
InChIKey: GWYKHOLLVPAQFF-UHFFFAOYSA-N
分子式: C12H9ClN2O3
平均分子量: 264.66 g/mol
単同位体質量: 264.03016983

名称と識別子

優先名称: 2-((2-Chloro-4-nitrophenoxy)methyl)pyridine
IUPAC: 2-[(2-chloro-4-nitrophenoxy)methyl]pyridine
英語名: 2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine
分子式: C12H9ClN2O3
分子量: 264.66

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.8
極性表面積: 67.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 18
形式電荷: 0
複雑度: 285

物理化学的性質

貯蔵温度: Inert atmosphere,Room Temperature

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

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

Hazard Classes and CategoriesNot Classified

化学と産業

応用分野

使用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.