1-(1H-Imidazol-1-yl)ethanone (HCID 17174)

개요

N-acetylimidazole is a N-acylimidazole.

이름 및 식별자

우선 이름: 1-(1H-Imidazol-1-yl)ethanone
IUPAC: 1-imidazol-1-ylethanone
현지명: 1-아세틸이미다졸
영어명: 1-Acetylimidazole
분자식: C5H6N2O
분자량: 110.11

이름 및 동의어

1-Acetylimidazole2466-76-4N-Acetylimidazole1-(1H-imidazol-1-yl)ethanoneAcetylimidazole1-imidazol-1-ylethanone1-Acetyl-1H-imidazoleZMP8X1Y11GCHEBI:16984RefChem:828912219-577-71H-Imidazole, 1-acetyl-

이름 더 보기

1-아세틸이미다졸NAI4-ACETYLIMIDAZOLE1-AcetylimidaN-AcylimidazoleN-ACETYLIMIDAZOL1-AcetliMidazole

1-(1H-imidazol-1-yl)ethan-1-oneIMIDAZOLE, 1-ACETYL-Ethanone, 1-(1H-imidazol-1-yl)-MFCD000052873-acetylimidazoleCCRIS 6534EINECS 219-577-7UNII-ZMP8X1Y11G

데이터베이스 식별자

CAS: 2466-76-4
PubChem CID: 17174
DTXSID: DTXSID8062440
ChEMBL: CHEMBL1592087
ChEBI: CHEBI:16984
UNII: ZMP8X1Y11G
EC Number: 219-577-7
Nikkaji: J34.876G

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 103

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP-0.34

물리화학적 성질

녹는점: 99 · 99-105 °C (lit.)
끓는 점: 206.4 °C · 206.4°C (rough estimate)
밀도: 1.2111 · 1.2111 (rough estimate)
굴절률: 1.48 · 1.4800 (estimate)
저장 조건: 2 · 2-8°C
용해도: 50 mg/mL, · 물: 용해성50mg/mL, 투명, 무색
산도 계수 (pKa): 3.6 · pKa 3.6(H2O,t = 25,I=0.2) (Uncertain)
물리적 상태: 결정 또는 결정성 분말 부착
색상: 흰색에서 베이지색 또는 밝은 황갈색
수용성: 물에서 가수분해됩니다.메탄올에 용해됨(거의 투명함)
BRN: 108425 · 108425
안정성: 수분에 민감한
InChI: 1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
InChIKey: VIHYIVKEECZGOU-UHFFFAOYSA-N
SMILES: CC(=O)n1ccnc1
NIST: 1 H-Imidazole, · 1H-Imidazole, 1-acetyl-(2466-76-4)
EPA: 1 H-Imidazole, · 1H-Imidazole, 1-acetyl- (2466-76-4)

화학적 성질

white to beige or light tan adhering crystals or

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NI3400000
HS 번호: 29332900
risk_code: 36/37/38
safety_code: 24/25
F 고인화성물질: 10-21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(1H-imidazol-1-yl)-: INACTIVE

응용 분야 · 2건

용도It is a mild acylating agent and its reactivity can be enhanced by quaternization with, e.g. benzyl bromide. 1-Acetylimidazole was used as acetylation reagent for amino groups. It was also employed for acetylation of histones. It is relatively specific reagent for tyrosyl residue acetylatioa dn a reagent used in the synthesis of annulated imidazole derivatives.

일반 설명Rate of solvolysis of 1-acetylimidazole in acid solutions was evaluated. Reaction of 1-acetylimidazole with orthophosphate and adenosine-5′-phosphate has been reported.