Grundinformationen
- Standard-SMILES
CC(CCN1C(=O)C=CC1=O)CC(C)(C)CN1C(=O)C=CC1=O- InChIKey
XQCDLHVXAXBMGW-UHFFFAOYSA-N- Summenformel
- C17H22N2O4
- Durchschnittliche Molmasse
- 318,4 g/mol
- Monoisotopische Masse
- 318,15795719
Namen und Bezeichner
- Bevorzugter Name
- 1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-
- IUPAC
- 1-[6-(2,5-dioxopyrrol-1-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione
- Lokaler Name
- 1,1'-(2,2,4-Trimethylhexan-1,6-diyl)bis-1H-pyrrol-2,5-dion
- Englischer Name
- 1,1'-(2,2,4-trimethylhexane-1,6-diyl)bis-1H-pyrrole-2,5-dione
- Summenformel
- C17H22N2O4
- Molmasse
- 318.37
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
39979-46-9- PubChem CID
- 170261
- DTXSID
DTXSID20885790- EC Number
- 254-730-1
- Nikkaji
- J261.492H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 74,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 568
Physikochemische Eigenschaften
- Schmelzpunkt
- 95 °C · 95°C
- Siedepunkt
- 476.5 · 476.5±28.0 °C(Predicted)
- Dichte
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- powder or crystals
- pka
- -2.2 · -2.20±0.20(Predicted)
- Farbe
- white to yellow
- InChI
- 1S/C17H22N2O4/c1-12(8-9-18-13(20)4-5-14(18)21)10-17(2,3)11-19-15(22)6-7-16(19)23/h4-7,12H,8-11H2,1-3H3
- InChIKey
- XQCDLHVXAXBMGW-UHFFFAOYSA-N
- SMILES
- O=C1C=CC(=O)N1CCC(C)CC(C)(C)CN2C(=O)C=CC2=O
- EPA chemische Informationen
- 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis- (39979-46-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (93.3%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 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.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anbieter7 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…