octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione

Basic Information

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CAS Number

496-46-8

Molecular Formula

C4H6N4O2

Molecular Weight

142.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

>300 °C

Boiling Point

861.6°C at 760 mmHg

Flash Point

421.8 ºC

Solubility

15g/l

Refractive Index

1.8500 (estimate)

SMILES

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C12C(NC(=O)N1)NC(=O)N2

InChI

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

LogP

-1.7358000000000005

Topological Polar Surface Area

82.26 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

165

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

trans-glycoluril
NSC-2765
GLL
Tox21_301392
J-640156
Glyoxalbiuret
cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
UNII-U9H2W4OS13
SY051662
Perhydroimidazo(4,5-d)imidazole-2,5-dione
CHEMBL3182837
BCP31844
J-800159
cis-glycoluril
AS-15355
Imidazo[4,5(1H,3H)-dione, tetrahydro-
CHEBI:37083
Acetylene diurein
AKOS003232557
Glyoxaldiurene
U9H2W4OS13
AKOS006348902
Glyoxaldiureine
Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione
Tetrahydroimidazo[4,5(1H,3H)-dione
Tetrahydroimidaz[d]imidazole-2,3H)-dione
F2174-0004
NCGC00255283-01
496-46-8
A827780
NSC2765

MDL Number

MFCD00005539

Customs Code

29332990

FAQ

What regulatory guidelines apply to octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione (CAS: 496-46-8)?

Octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione (CAS: 496-46-8) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) which includes hazard communication requirements. The European Union's REACH regulations also apply, requiring registration for quantities produced or imported in excess of one tonne per year. FDA and EPA have additional requirements for handling and storage, particularly in relation to manufacturing and formulation purposes.

Are there alternatives to octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione (CAS: 496-46-8) in synthesis?

Octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione (CAS: 496-46-8) can be synthesized using various reagents such as N-methyl-2-pyrrolidone or dimethylformamide. In some cases, analogous compounds like 1,3-diazolo[4,5-d]imidazole-2,5-dione can be used as alternatives, but their reactivity and availability may vary.

What is the market or research trend for octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione (CAS: 496-46-8)?

The market for octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione (CAS: 496-46-8) is currently focused on its use as a pharmaceutical intermediate. Research trends are leaning towards its application in drug development, particularly in the synthesis of new drugs. Price trends indicate stable demand with minor fluctuations based on production and supply chain dynamics. Emerging research is exploring its potential in biocatalysis and organic synthesis.

How should waste containing octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione (CAS: 496-46-8) be handled?

Waste containing octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione (CAS: 496-46-8) should be collected in appropriate containers and stored in a well-ventilated area away from direct sunlight. The waste should be disposed of through a professional hazardous waste management service that adheres to local, national, and international regulations. Environmental protection measures, such as neutralization of acidic or basic residues, should be taken to minimize environmental impact.