1-(2,6-diethylphenyl)-1H-pyrrole-2,5-dione

HCID 300890CAS 38167-72-5

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Grundinformationen

Standard-SMILES: CCc1cccc(CC)c1N1C(=O)C=CC1=O
InChIKey: LNOKVKHZEYOLIQ-UHFFFAOYSA-N
Summenformel: C14H15NO2
Durchschnittliche Molmasse: 229,27 g/mol
Monoisotopische Masse: 229,11027872

Namen und Bezeichner

Bevorzugter Name: 1-(2,6-diethylphenyl)-1H-pyrrole-2,5-dione
IUPAC: 1-(2,6-diethylphenyl)pyrrole-2,5-dione
Englischer Name: N-(2,6-DIETHYLPHENYL)MALEIMIDE
Summenformel: C14H15NO2
Molmasse: 229.27

Namen und Synonyme

38167-72-51-(2,6-diethylphenyl)-1H-pyrrole-2,5-dioneN-(2,6-DIETHYLPHENYL)MALEIMIDE1-(2,6-diethylphenyl)pyrrole-2,5-dione1-(2,6-diethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneMFCD001738261-(2,6-diethylphenyl)azoline-2,5-dioneBUTTPARK 97\08-57NSC176372Cyto10H11Maybridge1_007020SCHEMBL331144

Weitere Namen anzeigen

1-(2,6-DIETHYL-PHENYL)-PYRROLE-2,5-DIONE1H-Pyrrole-2,5-dione, 1-(2,6-diethylphenyl)-

CHEMBL4546302SCHEMBL27737424HMS561H02DTXSID80306436AKOS B000966ART-CHEM-BB B000966SBB028622STK301769

Datenbank-Bezeichner

CAS: 38167-72-5
PubChem CID: 300890
DTXSID: DTXSID80306436
ChEMBL: CHEMBL4546302
EC Number: 670-405-0
Nikkaji: J135.006D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 318

Physikochemische Eigenschaften

Siedepunkt: 354.2 · 354.2±31.0 °C(Predicted)
Dichte: 1.17 · 1.170±0.06 g/cm3(Predicted)
pka: 0.39 · 0.39±0.20(Predicted)
CAS Datenbank: 38167 · 38167-72-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 1 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.