2-에틸이미다졸
2-Ethylimidazole
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기본 정보
- CAS
1072-62-4- 표준 SMILES
CCc1ncc[nH]1- InChIKey
PQAMFDRRWURCFQ-UHFFFAOYSA-N- 분자식
- C5H8N2
- 평균 분자량
- 96.13 g/mol
- 단동위원소 질량
- 96.06874826
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 물성보충 중
- XLogP
- 0.9
- 극성 표면적
- 28.7 Ų
- 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)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Imidazole, 2-ethyl-: ACTIVE
응용 분야
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.
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