4,5-Dichloroimidazole - ≥97%(GC)(T) , CAS No.15965-30-7

CAS: 15965-30-7 Cat. No.: D154962 Molecular Weight: 136.96 Beilstein Registry Number: 606155 EC Number: 628-571-7

GRADE & PURITY ≥97%(GC)(T)

Synonyms

3,4-dichloro-2H-pyrazole | FT-0617171 | STK036844 | D73871 | EN300-102203 | PS-10955 | 4,5-Dichloroimidazole, >=98% | 4,5-Dichloroimidazole | F0001-0570 | 4,5-dichloro-1H-imidazole | AKOS005255242 | 4-Bromotoluene, 98% | A810049 | GEO-02647 | SCHEMBL18953

Storage

Room temperature

Shipped In

Normal

Overview

4,5-Dichloroimidazole has been used in the synthesis of: . phosphinite complexes . 1-hexyl-3-methyl-4,5-dichloroimidazolium iodide, precursor required for the preparation of silver-carbene complex-loaded into L-tyrosine polyphosphate nanoparticles

Specifications

Synonyms

3, 4-dichloro-2H-pyrazole | FT-0617171 | STK036844 | D73871 | EN300-102203 | PS-10955 | 4, 5-Dichloroimidazole, >=98% | 4, 5-Dichloroimidazole | F0001-0570 | 4, 5-dichloro-1H-imidazole | AKOS005255242 | 4-Bromotoluene, 98% | A810049 | GEO-02647 | SCHEMBL18953

Specifications & Purity

≥97%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488188060
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188060
• Canonical Smiles: C1=NC(=C(N1)Cl)Cl
• IUPAC Name: 4,5-dichloro-1H-imidazole
• InChIKey: QAJJXHRQPLATMK-UHFFFAOYSA-N
• INCHI: 1S/C3H2Cl2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
• Isomeric SMILES: C1=NC(=C(N1)Cl)Cl
• WGK Germany: 3
• Molecular Weight: 136.96
• Beilstein: 606155
• Reaxy-Rn: 606155
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606155&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Aryl halides
      • Subclass Aryl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Aryl halides
• Subclass: Aryl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl chlorides
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl chloride - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional 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

• Melt Point(°C): 181 °C
• Molecular Weight: 136.960 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 135.96 Da
• Monoisotopic Mass: 135.96 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 68.000
• 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

References

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