Grundinformationen
- Standard-SMILES
O=C1NC2NC(=O)NC2N1- InChIKey
VPVSTMAPERLKKM-UHFFFAOYSA-N- Summenformel
- C4H6N4O2
- Durchschnittliche Molmasse
- 142,12 g/mol
- Monoisotopische Masse
- 142,04907545
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
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
496-46-8- PubChem CID
- 62347
- DTXSID
DTXSID6031380- ChEMBL
CHEMBL3182837- ChEBI
CHEBI:42946- UNII
- U9H2W4OS13
- EC Number
- 207-821-5
- Nikkaji
- J1.042.644H、J2.599B
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
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)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 1.8 g/L · 1.8g/L at 20℃
- Merck
- 14 · 14,93
- BRN
- 128826 · 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
- -3.28 · -3.28
- CAS Datenbank
- 496 · 496-46-8(CAS DataBase Reference)
- NIST chemische Informationen
- Glycoluril(496-46-8)
- EPA chemische Informationen
- Glycoluril (496-46-8)
Sicherheit und Regulatorisches
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.;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.
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)
Status: Active Update: 08-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24399;Status: Active Update: 11-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18710
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.
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
Toxikologische Informationen
Regulatorische Informationen
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)
Status: Active Update: 08-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24399;Status: Active Update: 11-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18710
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.
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29332990
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
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.
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
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