2-Iodoimidazole - ≥97% , CAS No.3034-62-6

CAS: 3034-62-6 Cat. No.: I169417 Peso molecular: 193.97 Número EC: 627-466-3

GRADE & PURITY ≥97%

Synonyms

2-Iodoimidazole | A5590 | DTXSID00378478 | iodoimidazole | AC-1054 | C3H3IN2 | MHHDMDLNVVCTAJ-UHFFFAOYSA-N | SY002553 | J-509701 | 2-iodo-1H-imidazole | AM20090422 | 2-Iodoimidazole, 97% | AB04195 | 1H-Imidazole, 2-iodo- | PS-3338 | SCHEMBL8970 | AKOS0052

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Alkylation leading to alkyl derivatives with antibacterial activity；Iodination of N-tritylimidazole；Photochemical intramolecular aromatic substitutions；Synthesis of cyclopentapyrazines using thermolysis

Specifications

Sinónimos

2-Iodoimidazole | A5590 | DTXSID00378478 | iodoimidazole | AC-1054 | C3H3IN2 | MHHDMDLNVVCTAJ-UHFFFAOYSA-N | SY002553 | J-509701 | 2-iodo-1H-imidazole | AM20090422 | 2-Iodoimidazole, 97% | AB04195 | 1H-Imidazole, 2-iodo- | PS-3338 | SCHEMBL8970 | AKOS0052

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761825
• Sonrisas canónicas: C1=CN=C(N1)I
• IUPAC Name: 2-iodo-1H-imidazole
• InChIKey: MHHDMDLNVVCTAJ-UHFFFAOYSA-N
• INCHI: 1S/C3H3IN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
• Isómeros SMILES: C1=CN=C(N1)I
• WGK Alemania: 3
• Peso molecular: 193.97
• Reaxy-Rn: 105854
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105854&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Aryl halides
      • Subclass Aryl iodides

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 182-191°C
• Peso molecular: 193.970 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 193.934 Da
• Monoisotopic Mass: 193.934 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 48.100
• 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