1-エチルイミダゾール

1-Ethyl-1H-imidazole

HCID 81540CAS 7098-07-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CCn1ccnc1
InChIKey: IWDFHWZHHOSSGR-UHFFFAOYSA-N
分子式: C5H8N2
平均分子量: 96.13 g/mol
単同位体質量: 96.06874826

名称と識別子

優先名称: 1-Ethyl-1H-imidazole
IUPAC: 1-ethylimidazole
現地名: 1-エチルイミダゾール
英語名: 1-Ethylimidazole
分子式: C5H8N2
分子量: 96.13

名称と別名

1-Ethylimidazole1-Ethyl-1H-imidazole7098-07-9N-Ethylimidazole1H-Imidazole, 1-ethyl-T49PA5I372DTXSID10221209EC 230-403-9EINECS 230-403-9RefChem:432328DTXCID60143700230-403-9

名称をさらに表示

1-エチルイミダゾール1-エチル-1H-イミダゾールオキサレチリンN-エチルイミダゾ-ル1‐エチルイミダゾールEIMOxalethylin1-Ethylimidazole>Imidazole, 1-ethyl-Clotrimazole Impurity 13

Imidazole, 1-ethyl-MFCD000553891-Ethylimidazole, >98%1-Ethyl-1H-imidazole #PS-9345PD163435D708601-ethyl imidazole

データベース識別子

CAS: 7098-07-9
PubChem CID: 81540
DTXSID: DTXSID10221209
ChEMBL: CHEMBL13911
UNII: T49PA5I372
EC Number: 230-403-9
Nikkaji: J109.518H

物性

構造計算による物性

XLogP: 0.3
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 54

物理化学的性質

融点: -27 ° · -27°
沸点: 106 °C · 106°C (12 torr)
比重(密度): 0.997 · 0.997
蒸気圧: 40 Pa · 40Pa at 20℃
屈折率: 1.487 · 1.4870-1.4900
闪点: 91.5 °C · 91.5 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
水溶解度: Soluble in water
外見: clear liquid
酸解離定数(Pka): 7.08 · 7.08±0.10(Predicted)
色: Colorless to Light yellow to Light orange
InChI: InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
InChIKey: IWDFHWZHHOSSGR-UHFFFAOYSA-N
SMILES: C1N(CC)C=CN=1
CAS データベース: 7098 · 7098-07-9(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Ethylimidazole(7098-07-9)

化学的性質

化学的特性Light yellow transparent liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 30-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16442

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

安全データ

wgk: WGK 2
ridadr: UN3267 8/PG 3
hs_code: 2933299090
risk_code: 36/37/38-52/53-34-22
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-61-45
hazard_class: 8
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用1-Ethylimidazole is an organic heterocyclic compound belonging to the imidazole family. It is widely used as a versatile building block in organic synthesis and serves as a precursor for the synthesis of many pharmaceuticals, agrochemicals, and specialty chemicals. Moreover, 1-Ethylimidazole has been investigated for its biological activities and potential medicinal applications. It exhibits antimicrobial properties, showing inhibitory effects against bacteria and fungi.