2-Ethylimidazole (HCID 66130)

개요

structure in first source

이름 및 식별자

우선 이름: 2-Ethylimidazole
IUPAC: 2-ethyl-1H-imidazole
현지명: 2-에틸이미다졸
영어명: 2-Ethylimidazole
분자식: C5H8N2
분자량: 96.13

이름 및 동의어

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

이름 더 보기

2-에틸이미다졸Ethylimidazole2-Ethylmidazole2-ethvllmidazole2EMI2-EICurezol 2EZEthyliMinazole

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 54

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Imidazoles

Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 78 · 78-81 °C (lit.)
끓는 점: 268 °C · 268 °C (lit.)
밀도: 1.5519 · 1.5519 (rough estimate)
증기압: 0.047 Pa · 0.047Pa at 20℃
굴절률: 1.5 · 1.5000 (estimate)
인화점: 159 °C · 159 °C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 14.38 · 14.38±0.10(Predicted)
색상: 흰색에서 밝은 노란색
수용성: 물에 용해됨(20°C에서 617g/L)
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℃
NIST: 1 H-Imidazole, · 1H-Imidazole, 2-ethyl-(1072-62-4)
EPA: 1 H-Imidazole, · 1H-Imidazole, 2-ethyl- (1072-62-4)

화학적 성질

White to slightly yellow flakes

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29332900
risk_code: 36/37/38-41-38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

용도2-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.

일반 설명Microwave plasma reaction of 2-ethylimidazole on poly(dimethylsiloxane) surface has been investigated.