4-말레이미도페놀

1-(4-hydroxyphenyl)-1H-pyrrole-2,5-dione

HCID 81734CAS 7300-91-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1C=CC(=O)N1c1ccc(O)cc1
InChIKey: BLLFPKZTBLMEFG-UHFFFAOYSA-N
분자식: C10H7NO3
평균 분자량: 189.17 g/mol
단동위원소 질량: 189.04259308

이름 및 식별자

우선 이름: 1-(4-hydroxyphenyl)-1H-pyrrole-2,5-dione
IUPAC: 1-(4-hydroxyphenyl)pyrrole-2,5-dione
현지명: 4-말레이미도페놀
영어명: 4-Maleimidophenol
분자식: C10H7NO3
분자량: 189.17

이름 및 동의어

1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dioneEINECS 230-750-61H-pyrrole-2,5-dione, 1-(4-hydroxyphenyl)-DTXSID90223286NSC 39735NSC 148152RefChem:425669DTXCID90145777230-750-6InChI=1/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,127300-91-64-maleimidophenol

이름 더 보기

4-말레이미도페놀N-(4-HYDROXYPHENYL) MALEIMIDESKL6974-maleimide phenol4-(Maleimide-N-yl)phenol4-Maleimidophenol(4-HPM)7300-91-6 4-MaleimidophenolN-(p-Hydroxyphenyl)maleimideN-(4-hydroxylphenyl)maleimide

N-(4-Hydroxyphenyl)maleimide1-(4-hydroxyphenyl)pyrrole-2,5-dione1-(4-Hydroxyphenyl)-2,5-dioxo-pyrroleMFCD001291671-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1-(4-Hydroxy-phenyl)-pyrrole-2,5-dioneN-4-hydroxyphenyl maleimide1-(4-Hydroxyphenyl)maleimide

데이터베이스 식별자

CAS: 7300-91-6
PubChem CID: 81734
DTXSID: DTXSID90223286
ChEMBL: CHEMBL565893
UNII: GX66DA3FXR
EC Number: 230-750-6
Nikkaji: J212.299E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 272

물리화학적 성질

녹는점: 154 · 154-155 °C
끓는 점: 397 · 397.0±25.0 °C(Predicted)
밀도: 1.47 · 1.470±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.3 · 9.30±0.26(Predicted)
색상: 노란색에서 진한 주황색까지
InChI: InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
InChIKey: BLLFPKZTBLMEFG-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(O)C=C2)C(=O)C=CC1=O

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.