1,1'-(4-Methyl-1,3-phenylen)bis-1H-pyrrol-2,5-dion

1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-

HCID 80893CAS 6422-83-9

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Grundinformationen

Standard-SMILES: Cc1ccc(N2C(=O)C=CC2=O)cc1N1C(=O)C=CC1=O
InChIKey: FJKKJQRXSPFNPM-UHFFFAOYSA-N
Summenformel: C15H10N2O4
Durchschnittliche Molmasse: 282,25 g/mol
Monoisotopische Masse: 282,0640568

Namen und Bezeichner

Bevorzugter Name: 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-
IUPAC: 1-[3-(2,5-dioxopyrrol-1-yl)-4-methylphenyl]pyrrole-2,5-dione
Lokaler Name: 1,1'-(4-Methyl-1,3-phenylen)bis-1H-pyrrol-2,5-dion
Englischer Name: N,N'-(4-Methyl-1,3-phenylene)bismaleimide
Summenformel: C15H10N2O4
Molmasse: 282.25

Namen und Synonyme

6422-83-92,4-Bismaleimidotoluenen,n'-(4-methyl-1,3-phenylene)bismaleimide1,1'-(4-Methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione2,4-DimaleimidotolueneToluene-2,4-bismaleimideBismaleimide, 2,4-toluene2,4-Tolylenebis(maleimide)N,N'-2,4-Toluenebismaleimide1,3-Bismaleimide-4-methylbenzeneEINECS 229-175-31H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-

Weitere Namen anzeigen

TOLUENEDIAMINEBISMALEIMIDEn,n’-2,4-toluenebismaleimide

BRN 1544474AI3-51358Maleimide, N,N'-(4-methyl-m-phenylene)di-RefChem:439187229-175-3TOLUENE-2,4-DIMALEIMIDE1-[3-(2,5-dioxopyrrol-1-yl)-4-methylphenyl]pyrrole-2,5-dione1,1'-(4-Methyl-1,3-phenylene)bis(1H-pyrrole-2,5-dione)

Datenbank-Bezeichner

CAS: 6422-83-9
PubChem CID: 80893
DTXSID: DTXSID6052326
ChEMBL: CHEMBL4559218
UNII: 8W8HD77SDP
EC Number: 229-175-3
Nikkaji: J207.036G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 74,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 21
Formalladung: 0
Komplexität: 556

Experimentelle und physikochemische Eigenschaften

Collision Cross Section163.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6052326]

Physikochemische Eigenschaften

Siedepunkt: 424.87 °C · 424.87°C (rough estimate)
Dichte: 1.2683 · 1.2683 (rough estimate)
Dampfdruck: 0 Pa · 0Pa at 25℃
Brechungsindex: 1.5906 · 1.5906 (estimate)
pka: -1.29 · -1.29±0.20(Predicted)
Wasserlöslichkeit: 60 mg/L · 60mg/L at 20℃
LogP: -0.004 at · -0.004 at 25℃
EPA chemische Informationen: 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis- (6422-83-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H315 (93%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]