(ピリジン-3-イルオキシ)酢酸エチルエステル

Ethyl 2-(pyridin-3-yloxy)acetate

HCID 4763754

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 18342-98-8
標準SMILES: CCOC(=O)COc1cccnc1
InChIKey: XNRUOZBZALSKNK-UHFFFAOYSA-N
分子式: C9H11NO3
平均分子量: 181.19 g/mol
単同位体質量: 181.07389321

名称と識別子

優先名称: Ethyl 2-(pyridin-3-yloxy)acetate
IUPAC: ethyl 2-pyridin-3-yloxyacetate
現地名: (ピリジン-3-イルオキシ)酢酸エチルエステル
英語名: ethyl 2-(pyridin-3-yloxy)acetate
分子式: C9H11NO3
分子量: 181.19

名称と別名

18342-98-8ethyl 2-(pyridin-3-yloxy)acetateEthyl 2-pyridin-3-yloxyacetate(Pyridin-3-yloxy)acetic acid ethyl ester(Pyridin-3-yloxy)-acetic acid ethyl esterMFCD00093962ethyl 2-(3-pyridyloxy)acetateethyl 3-pyridyloxyacetateAcetic acid, 2-(3-pyridinyloxy)-, ethyl esterSCHEMBL6067800ethyl2-(pyridin-3-yloxy)acetateDTXSID40406340

名称をさらに表示

(ピリジン-3-イルオキシ)酢酸エチルエステルethyl (pyridin-3-yloxy)acetateEthyl 3-pyridyloxyacetate, 98%3-EthoxycarbonylMethoxypyridine

XNRUOZBZALSKNK-UHFFFAOYSA-NEthyl [(pyridin-3-yl)oxy]acetateethyl 2-(pyridin-3-yloxy)-acetateAKOS000285750DS-0925DB-0654462-(3-Pyridinyloxy)acetic acid, ethyl esterCS-0217952

データベース識別子

CAS: 18342-98-8
PubChem CID: 4763754
DTXSID: DTXSID40406340
EC Number: 691-938-5

物性

構造計算による物性

XLogP: 1.1
極性表面積: 48.4 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: 5
重原子数: 13
形式電荷: 0
複雑度: 161

物理化学的性質

沸点: 270.6 · 270.6±15.0 °C(Predicted)
比重(密度): 1.157 · 1.157
屈折率: 1.506 · 1.506
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 4.36 · 4.36±0.10(Predicted)
CAS データベース: 18342 · 18342-98-8

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.