4(5)-(히드록시메틸)이미다졸

4-Imidazolemethanol

HCID 1745

기본 정보

CAS: 822-55-9
표준 SMILES: OCc1cnc[nH]1
InChIKey: QDYTUZCWBJRHKK-UHFFFAOYSA-N
분자식: C4H6N2O
평균 분자량: 98.1 g/mol
단동위원소 질량: 98.04801281

개요

Imidazole-4-methanol is a member of the class of imidazoles that is 1H-imidazole substituted by a hydroxymethyl group at position 4. It is a primary alcohol and a member of imidazoles.

이름 및 식별자

우선 이름: 4-Imidazolemethanol
IUPAC: 1H-imidazol-5-ylmethanol
현지명: 4(5)-(히드록시메틸)이미다졸
영어명: Imidazole-4-methanol
분자식: C4H6N2O
분자량: 98.1

이름 및 동의어

4-imidazolemethanolRefChem:516193822-55-9IMIDAZOLE-4-METHANOL(1H-Imidazol-4-yl)methanol4-(Hydroxymethyl)imidazole1H-imidazol-5-ylmethanol1H-Imidazole-4-methanol1H-Imidazol-4-ylmethanol1H-Imidazole-5-methanol4(5)-(Hydroxymethyl)imidazole(1H-imidazol-4-yl)-methanol

이름 더 보기

4(5)-(히드록시메틸)이미다졸이미다졸-4-메탄올4-hydroxymethylglyoxalineNSC 39016RARECHEM AL BD 0762imidazol-4-ylmethanoimidazol-4-ylmethanolHYDROXYMETHYLIMIDAZOLE

(3H-Imidazol-4-yl)-methanol(1H-imidazol-5-yl)methanol4-HYDROXYMETHYLIMIDAZOLE4-Methylol-1H-imidazole4-IMIDAZOLYLMETHANOLMFCD002667181H-imidazol-4-yl-methanol4-(hydroxymethyl)-1H-imidazole

데이터베이스 식별자

CAS: 822-55-9
PubChem CID: 1745
DTXSID: DTXSID40231619
ChEMBL: CHEMBL1397797
ChEBI: CHEBI:28182
UNII: QD0132T507
EC Number: 628-579-0
Nikkaji: J100.709B

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 48.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 57.7

물리화학적 성질

녹는점: 88 · 88-92 °C (lit.)
끓는 점: 393.7 · 393.7±17.0 °C(Predicted)
밀도: 1.311 · 1.311±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 13.44 · 13.44±0.10(Predicted)
InChI: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChIKey: QDYTUZCWBJRHKK-UHFFFAOYSA-N
SMILES: C1NC(CO)=CN=1

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 40 reports by companies from 3 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
HS 번호: 2933299090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명4(5)-(Hydroxymethyl)imidazole can be prepared using 4(5)-(hydroxymethyl)imidazole picrate as the starting material.

상·하류 제품 정보

상류 원료

공급사100 곳

荟达医药科技(上海)有限公司15173502222 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

추가 설명

정의ChEBI: A member of the class of imidazoles that is 1H-imidazole substituted by a hydroxymethyl group at position 4.

화합물 노트

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