2-クロロ-6-エトキシピリジン

2-Chloro-6-ethoxypyridine

HCID 98563CAS 42144-78-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOc1cccc(Cl)n1
InChIKey: AMSLPXHLKHZWBJ-UHFFFAOYSA-N
分子式: C7H8ClNO
平均分子量: 157.6 g/mol
単同位体質量: 157.0294416

名称と識別子

優先名称: 2-Chloro-6-ethoxypyridine
IUPAC: 2-chloro-6-ethoxypyridine
現地名: 2-クロロ-6-エトキシピリジン
英語名: 2-Chloro-6-ethoxypyridine
分子式: C7H8ClNO
分子量: 157.6

名称と別名

2-Chloro-6-ethoxypyridine42144-78-5Pyridine, 2-chloro-6-ethoxy-EINECS 255-681-9DTXSID00194978NSC 148330RefChem:86326DTXCID40117469255-681-9AMSLPXHLKHZWBJ-UHFFFAOYSA-NMFCD000234656-chloro-2-ethoxypyridine

名称をさらに表示

2-クロロ-6-エトキシピリジン6-クロロ-2-エトキシピリジン2-Chloro-6-ethoxypyridine >2-CHLORO-6-ETHOXYPYRIDINE, 98%%

2-chloro-6-ethoxy-pyridineSCHEMBL1671304AKOS009159192NSC-148330s12367CS-0151458EN300-71352NSC148330

データベース識別子

CAS: 42144-78-5
PubChem CID: 98563
DTXSID: DTXSID00194978
UNII: FZP4NJG7BB
EC Number: 255-681-9
Nikkaji: J208.270E

物性

構造計算による物性

XLogP: 2.5
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: 10
形式電荷: 0
複雑度: 99

実験および物理化学的性質

Kovats Retention Index1100

物理化学的性質

沸点: 207.9 · 207.9±20.0 °C(Predicted)
比重(密度): 1.17 · 1.17
屈折率: 1.519 · 1.5190
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
酸解離定数(Pka): 0.54 · 0.54±0.10(Predicted)
色: Colorless to Light yellow to Light orange
CAS データベース: 42144 · 42144-78-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (88.6%)；STOT SE 3 (100%)

安全データ

hs_code: 2933399990
risk_code: 20/21/22
消防法: 危-4-3-III
safety_code: 22-36/37

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