1-에틸이미다졸

1-Ethyl-1H-imidazole

HCID 81540CAS 7098-07-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCn1ccnc1
InChIKey: IWDFHWZHHOSSGR-UHFFFAOYSA-N
분자식: C5H8N2
평균 분자량: 96.13 g/mol
단동위원소 질량: 96.06874826

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

1-에틸이미다졸EIMOxalethylin1-Ethylimidazole>Imidazole, 1-ethyl-Clotrimazole Impurity 13

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 54

물리화학적 성질

녹는점: -27 ° · -27°
끓는 점: 106 °C · 106°C (12 torr)
밀도: 0.997 · 0.997
증기압: 40 Pa · 40Pa at 20℃
굴절률: 1.487 · 1.4870-1.4900
인화점: 91.5 °C · 91.5 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
수용성: 물에 용해됨
물리적 상태: 투명한 액체
산도 계수 (pKa): 7.08 · 7.08±0.10(Predicted)
색상: 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
NIST: 1 · 1-Ethylimidazole(7098-07-9)

화학적 성질

Light yellow transparent liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

안전 데이터

wgk: WGK 2
ridadr: UN3267 8/PG 3
HS 번호: 2933299090
risk_code: 36/37/38-52/53-34-22
hazard_code: C
safety_code: 26-36/37/39-61-45
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도1-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.