Grundinformationen
- Standard-SMILES
O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1- InChIKey
AQGZJQNZNONGKY-UHFFFAOYSA-N- Summenformel
- C14H8N2O4
- Durchschnittliche Molmasse
- 268,22 g/mol
- Monoisotopische Masse
- 268,04840674
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Phenylenebismaleimide
- IUPAC
- 1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
- Lokaler Name
- N,N'-p-Phenylendimaleimid
- Englischer Name
- N,N'-1,4-PHENYLENEDIMALEIMIDE
- Summenformel
- C14H8N2O4
- Molmasse
- 268.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3278-31-7- PubChem CID
- 76765
- DTXSID
DTXSID70186446- ChEMBL
CHEMBL576594- UNII
- BEC7P1E6J1
- EC Number
- 221-910-6
- Nikkaji
- J208.873H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 74,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 470
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C(lit.)
- Siedepunkt
- 411.39 °C · 411.39°C (rough estimate)
- Dichte
- 1.314 · 1.3140 (rough estimate)
- Brechungsindex
- 1.591 · 1.5910 (estimate)
- storage temp.
- Poison room
- Löslichkeit
- DMSO, Methanol (Very Slightly)
- Aggregatzustand
- Solid
- pka
- -1.81 · -1.81±0.20(Predicted)
- Farbe
- Yellow
- BRN
- 249631 · 249631
- InChI
- 1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
- InChIKey
- AQGZJQNZNONGKY-UHFFFAOYSA-N
- SMILES
- O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O
- CAS Datenbank
- 3278 · 3278-31-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.;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.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29251995
- risk_code
- 22
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 45-38-36/37/39-28A
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.
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