CAS 1072-62-4 2-Ethylimidazole (HCID 66130)

概要

structure in first source

名称と識別子

優先名称: 2-Ethylimidazole
IUPAC: 2-ethyl-1H-imidazole
現地名: 2-エチルイミダゾール
英語名: 2-Ethylimidazole
分子式: C5H8N2
分子量: 96.13

名称と別名

2-Ethylimidazole1072-62-41H-Imidazole, 2-ethyl-R8FS8HV4RLDTXSID5061457RefChem:86997DTXCID3033060214-011-52-Ethyl-1H-imidazoleImidazole, 2-ethyl-MFCD000051922-ethyl imidazole

名称をさらに表示

2-エチルイミダゾール2-エチル-1H-イミダゾール1エチルイミダゾール2‐エチルイミダゾールEthylimidazole2-Ethylmidazole2-ethvllmidazole2EMI2-EICurezol 2EZEthyliMinazole

US9138393, 2-EthylimidazoleBDBM181136STR05623CS-W013728AC-8726EN300-53983D77759Z803154382

データベース識別子

CAS: 1072-62-4
PubChem CID: 66130
DTXSID: DTXSID5061457
ChEMBL: CHEMBL303797
UNII: R8FS8HV4RL
EC Number: 214-011-5
Nikkaji: J100.656H

物性

構造計算による物性

XLogP: 0.9
極性表面積: 28.7 Å²
水素結合供与体数: 1
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

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Imidazoles

Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点: 78 · 78-81 °C (lit.)
沸点: 268 °C · 268 °C (lit.)
比重(密度): 1.5519 · 1.5519 (rough estimate)
蒸気圧: 0.047 Pa · 0.047Pa at 20℃
屈折率: 1.5 · 1.5000 (estimate)
闪点: 159 °C · 159 °C
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 14.38 · 14.38±0.10(Predicted)
色: White to Light yellow
水溶解度: 水に可溶 (617 g/L at 20°C)
BRN: 106381 · 106381
Henry's Law Constant: 7.6 · 7.6×102 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKey: PQAMFDRRWURCFQ-UHFFFAOYSA-N
SMILES: CCc1ncc[nH]1
LogP: 0.5 at · 0.5 at 23℃
CAS データベース: 1072 · 1072-62-4(CAS DataBase Reference)
NISTの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 2-ethyl-(1072-62-4)
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 2-ethyl- (1072-62-4)

化学的性質

化学的特性White to slightly yellow flakes

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 14.6% (22 of 151) of reports.

Danger

H302 (45%): Harmful if swallowed [Warning Acute toxicity, oral]

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 151 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 22-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22386

1H-Imidazole, 2-ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Methylimidazole.

Hazard Classes and CategoriesAcute Tox. 4 (45%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29332900
risk_code: 36/37/38-41-38-22
化審法: (5)-382
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-37/39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1H-Imidazole, 2-ethyl-: ACTIVE

応用分野 · 2 件

使用2-Ethylimidazole is a selective catalyst for epoxy and urethanes reactions. 2-Ethylimidazole is used for two components epoxy systems; for modification of epoxy resins and for preparation of polyurethanes. 2-Ethylimidazole has been used as internal standard in the quantification of 4-(5-)methylimidazole (4MI) in coffee by GC-MS method. Reactions of [RuH(CO)CI(PPh3)3] have been carried out with imidazole, 2-methylimidazole, 2-ethylimidazole and pyrazole in the presence of suitable anions [BF4- ,BPh4-,ClO4-,&PF6-] The reaction products are found to be cationic and have been characterized by elemental analyses, IR, UV/vis and NMR spectral studies. Microwave plasma reaction of 2-ethylimidazole on poly(dimethylsiloxane) surface has been investigated.

一般的な説明Microwave plasma reaction of 2-ethylimidazole on poly(dimethylsiloxane) surface has been investigated.