2-(クロロメチル)-3,5-ジメチル-4-メトキシピリジン

2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine

HCID 819992

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 84006-10-0
標準SMILES: COc1c(C)cnc(CCl)c1C
InChIKey: SRKVJDYNPSMHJM-UHFFFAOYSA-N
分子式: C9H12ClNO
平均分子量: 185.65 g/mol
単同位体質量: 185.06074168

名称と識別子

優先名称: 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine
IUPAC: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
現地名: 2-(クロロメチル)-3,5-ジメチル-4-メトキシピリジン
英語名: 2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine
分子式: C9H12ClNO
分子量: 185.65

名称と別名

2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine84006-10-02-Chloromethyl-3,5-dimethyl-4-methoxypyridine2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridineNH3A66X6A6DTXSID70356147RefChem:84631DTXCID80307206617-518-3MFCD03265239Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-2-(chloromethyl)-4-methoxy-3,5-dimethyl-pyridine

名称をさらに表示

2-(クロロメチル)-3,5-ジメチル-4-メトキシピリジン2-CHLORO METHYL-3,5-DIMETHYL-4-METHOXY PTENA-004Esomeprazole Impurity 832-Chloromethyl-3-,5-Dimethyl-4-Omeprazole related compound impurities2-(Chloromethyl)-4-methoxy-3,5-lutidine2-Chloromethyl-3,5-dimethyl-4-methoxypyr

2-chloromethyl-4-methoxy-3,5-dimethyl-pyridineEsomeprazole Impurity 1012-chloromethyl-4-methoxy-3,5-dimethylpyridineUNII-NH3A66X6A62-(chloromethyl)-4-methoxy-3, 5-dimethylpyridineSCHEMBL1160150SCHEMBL29546790SRKVJDYNPSMHJM-UHFFFAOYSA-N

データベース識別子

CAS: 84006-10-0
PubChem CID: 819992
DTXSID: DTXSID70356147
UNII: NH3A66X6A6
EC Number: 617-518-3
Nikkaji: J1.569.412B

物性

構造計算による物性

XLogP: 2
極性表面積: 22.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 142

物理化学的性質

沸点: 272.2 · 272.2±35.0 °C(Predicted)
比重(密度): 1.112 · 1.112±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 5.56 · 5.56±0.40(Predicted)
CAS データベース: 84006 · 84006-10-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.