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Perhydroimidazo[4,5-d]imidazol-2,5-dion
Acetylene carbamide · TETRAHYDROIMIDAZO[4,5-D]IMIDAZOLE-2,5(1H,3H)-DIONE · 5(1H · NSC 2765 · Glycouril · Glycolueil · Glycoluril · Gansu urea
![Molekülstruktur von Perhydroimidazo[4,5-d]imidazol-2,5-dion](/img/chemical/62347.png)
Identifikatoren & physikalische Daten
| CAS No. | 496-46-8 |
|---|---|
| Summenformel | C4H6N4O2 |
| Durchschnittliche Molmasse | 142,12 g/mol |
| Monoisotopische Masse | 142,04907545 g/mol |
| SMILES | O=C1NC2NC(=O)NC2N1 |
| InChIKey | VPVSTMAPERLKKM-UHFFFAOYSA-N |
| PubChem CID | 62347 |
| ChEMBL | CHEMBL3182837 |
| ChEBI | CHEBI:42946 |
| EC No. | 207-821-5 |
| DTXSID | DTXSID6031380 |
| Lokaler Name | Perhydroimidazo[4,5-d]imidazol-2,5-dion |
Chemische & physikalische Eigenschaften
| XLogP | -1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 82,3 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 165 |
| Physical Description | Other SolidLiquid[Merck Index] Beige powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 259.66°C (rough estimate) |
| Dichte | 1.4926 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.8500 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 15g/l1.8g/L at 20℃ |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 12.91±0.20(Predicted) |
| Farbe | White to Almost white |
| Merck | 14,93 |
| BRN | 128826 |
| InChI | 1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10) |
| InChIKey | VPVSTMAPERLKKM-UHFFFAOYSA-N |
| SMILES | O=C1NC2NC(=O)NC2N1 |
| LogP (Verteilungskoeffizient) | -3.28 |
| CAS Datenbank | 496-46-8(CAS DataBase Reference) |
| NIST chemische Informationen | Glycoluril(496-46-8) |
| EPA chemische Informationen | Glycoluril (496-46-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 14.9% (7 of 47) of reports.WarningH302 (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.Reported as not meeting GHS hazard criteria per 7 of 47 reports by companies.There is 1 notification provided by 40 of 47 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatorische Informationen | 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)Status: Active Update: 08-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24399Status: Active Update: 11-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18710Imidazo[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. |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | May cause irritationHarmful by ingestion[Sigma-Aldrich MSDS] See Urea. |
| Hazard Classes and Categories | Acute Tox. 4 (85.1%) |
| Protective Action Criteria (PAC) | 30 [mg/m3]330 [mg/m3]2000 [mg/m3] |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29332990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
For derivatives glycoluril, glycoluril resins