1,1'-Oxalyldiimidazole - ≥95% , CAS No.18637-83-7

CAS: 18637-83-7 Cat. No.: O159886 Molecular Weight: 190.16 EC Number: 627-917-4

GRADE & PURITY ≥95%

Synonyms

SY052195 | 1,2-di(imidazol-1-yl)ethane-1,2-dione | ONRNRVLJHFFBJG-UHFFFAOYSA-N | bis(1H-imidazol-1-yl)ethane-1,2-dione | AKOS015837676 | 1H-Imidazole, 1,1'-(1,2-dioxo-1,2-ethanediyl)bis- | NSC 299886 | SCHEMBL618874 | O0200 | 1,1'-oxalyl-diimidazol | NCGC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SY052195 | 1, 2-di(imidazol-1-yl)ethane-1, 2-dione | ONRNRVLJHFFBJG-UHFFFAOYSA-N | bis(1H-imidazol-1-yl)ethane-1, 2-dione | AKOS015837676 | 1H-Imidazole, 1, 1'-(1, 2-dioxo-1, 2-ethanediyl)bis- | NSC 299886 | SCHEMBL618874 | O0200 | 1, 1'-oxalyl-diimidazol | NCGC

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CN(C=N1)C(=O)C(=O)N2C=CN=C2
• IUPAC Name: 1,2-di(imidazol-1-yl)ethane-1,2-dione
• InChIKey: ONRNRVLJHFFBJG-UHFFFAOYSA-N
• INCHI: 1S/C8H6N4O2/c13-7(11-3-1-9-5-11)8(14)12-4-2-10-6-12/h1-6H
• Isomeric SMILES: C1=CN(C=N1)C(=O)C(=O)N2C=CN=C2
• Molecular Weight: 190.16
• Reaxy-Rn: 611833
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=611833&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: N-acylimidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acylimidazole - Imidazole-1-carbonyl group - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat sensitive;Air and moisture sensitive
• Melt Point(°C): 114-116°C
• Molecular Weight: 190.160 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 190.049 Da
• Monoisotopic Mass: 190.049 Da
• Topological Polar Surface Area: 69.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 230.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1