1-(4-エチルフェニル)-1H-ピロール-2,5-ジオン

N-(4-Ethylphenyl)maleimide

HCID 522624

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 76620-00-3
標準SMILES: CCc1ccc(N2C(=O)C=CC2=O)cc1
InChIKey: FHVHFKZQDVQILM-UHFFFAOYSA-N
分子式: C12H11NO2
平均分子量: 201.22 g/mol
単同位体質量: 201.07897859

名称と識別子

優先名称: N-(4-Ethylphenyl)maleimide
IUPAC: 1-(4-ethylphenyl)pyrrole-2,5-dione
現地名: 1-(4-エチルフェニル)-1H-ピロール-2,5-ジオン
英語名: N-(4-Ethylphenyl)maleimide
分子式: C12H11NO2
分子量: 201.22

名称と別名

N-(4-Ethylphenyl)maleimide76620-00-31-(4-Ethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneDTXSID90335015RefChem:162139DTXCID40286104661-400-4FHVHFKZQDVQILM-UHFFFAOYSA-N1-(4-Ethylphenyl)-1H-pyrrole-2,5-dione1-(4-ethylphenyl)pyrrole-2,5-dioneMFCD00014538CHEMBL577071

名称をさらに表示

1-(4-エチルフェニル)-1H-ピロール-2,5-ジオンN-(4-エチルフェニル)マレイミド, 98+%AKOS B001446AKOS MSC-0035ASISCHEM C66316N-(4-Ethylphenyl)maleinimideN-(4-ETHYLPHENYL)MALEIMIDE, 98+%1-(4-ethylphenyl)-3-pyrroline-2,5-quinone

1H-Pyrrole-2,5-dione, 1-(4-ethylphenyl)-1-(4-ethylphenyl)azoline-2,5-dione1-(4-Ethylphenyl)maleimideSCHEMBL112959ALBB-017480BDBM50300318SBB028628STK397396

データベース識別子

CAS: 76620-00-3
PubChem CID: 522624
DTXSID: DTXSID90335015
ChEMBL: CHEMBL577071
EC Number: 661-400-4
Nikkaji: J628.391H

物性

構造計算による物性

XLogP: 1.9
極性表面積: 37.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 283

物理化学的性質

融点: 65 · 65-66°C
沸点: 342.3 · 342.3±21.0 °C(Predicted)
比重(密度): 1.233 · 1.233±0.06 g/cm3(Predicted)
酸解離定数(Pka): -0.22 · -0.22±0.20(Predicted)
BRN: 7022079 · 7022079

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

安全データ

risk_code: 20/21/22
hazard_code: Xi
safety_code: 23-36/37/39
hazard_class: IRRITANT
packing_group: III

化学と産業

サプライヤー19 社

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

烟台盛凯伦生物制品有限公司13356901049 · [email protected]

化合物ノート

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