Perhydroimidazo[4,5-d]imidazol-2,5-dion
Glycoluril
Grundinformationen
- CAS
496-46-8- Standard-SMILES
O=C1NC2NC(=O)NC2N1- InChIKey
VPVSTMAPERLKKM-UHFFFAOYSA-N- Summenformel
- C4H6N4O2
- Durchschnittliche Molmasse
- 142,12 g/mol
- Monoisotopische Masse
- 142,04907545
Überblick
Glycoluril is an azabicycloalkane and a member of ureas.
Namen und Bezeichner
- Bevorzugter Name
- Glycoluril
- IUPAC
- 1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione
- Lokaler Name
- Perhydroimidazo[4,5-d]imidazol-2,5-dion
- Englischer Name
- Glycoluril
- Summenformel
- C4H6N4O2
- Molmasse
- 142.12
Namen und Synonyme
Glycoluril496-46-8tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dioneAcetylenediureineAcetylene carbamide1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dioneDTXSID6031380Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-CHEBI:42946Imidazo(4,5-d)imidazole-2,5(1H,3H)-dione, tetrahydro-Tetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione(3as,6as)-octahydroimidazo(4,5-d)imidazolidine-2,5-dione
Weitere Namen anzeigen
5(1HNSC 2765GlycourilGlycolueilGansu urea
1,3,3a,4,6,6a-hexahydroimidazo(4,5-d)imidazole-2,5-dioneRefChem:143920DTXCID4011380AcetyleneureaGlyoxaldiureineAcetylenediureaGlyoxalbiuretGlyoxaldiurene
Datenbank-Bezeichner
- CAS
496-46-8- PubChem CID
- 62347
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,6
- Polarare Oberfläche (TPSA)
- 82,3 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 165
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
DrugsPharmaceuticals -> Listed in ZINC15
Physical Description
Other Solid; Liquid
Solid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Siedepunkt
- 259.66 °C · 259.66°C (rough estimate)
- Dichte
- 1.4926 · 1.4926 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.85 · 1.8500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 15 g/l · 15g/l
- Aggregatzustand
- powder to crystal
- pka
- 12.91 · 12.91±0.20(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 14.9% (7 of 47) of reports.
Warning
H302 (85.1%): 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 47 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Perhydroimidazo[4,5-d]imidazole-2,5-dione (EC: 207-821-5)
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryMay cause irritation; Harmful by ingestion; [Sigma-Aldrich MSDS] See Urea.
Hazard Classes and CategoriesAcute Tox. 4 (85.1%)
Sicherheit und Schutzausrüstung
Chemie und Industrie
Verwendung und Herstellung
Uses
Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Glycoluril can be used to make Cucurbiturils. They have been used by chemists for various applications, including drug delivery, asymmetric synthesis, molecular switching, and dye tuning.
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
General Manufacturing Information
Plastics Material and Resin Manufacturing
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-: ACTIVE
Anwendungen
VerwendenFor derivatives glycoluril, glycoluril resins
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
5
Notizen zur Verbindung
Wird geladen…