Perhydroimidazo[4,5-d]imidazol-2,5-dion

Glycoluril

HCID 62347CAS 496-46-8

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

Glycoluril496-46-8tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dioneAcetylenediureineAcetylene carbamideDTXSID60313801,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dioneImidazo[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)-dione1,3,3a,4,6,6a-hexahydroimidazo(4,5-d)imidazole-2,5-dione
Weitere Namen anzeigen
5(1HNSC 2765GlycourilGlycolueilGansu urea
RefChem:143920DTXCID4011380(3as,6as)-octahydroimidazo(4,5-d)imidazolidine-2,5-dioneAcetyleneureaGlyoxaldiureineAcetylenediureaGlyoxalbiuretGlyoxaldiurene

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

Experimentelle und physikochemische Eigenschaften

Physical Description · 2 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 4 Einträge

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.

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

Protective Action Criteria (PAC) · 3 Einträge

30 [mg/m3]

330 [mg/m3]

2000 [mg/m3]

Toxikologische Informationen

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Regulatorische Informationen

Regulatory Information · 4 Einträge

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

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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;2022: 500,000 - <1,000,000 lb;2021: 75,000 - <500,000 lb;2020: 75,000 - <500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
General Manufacturing Information · 2 Einträge

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

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]

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