Imidazole Hydroiodide - ≥98%(T) , CAS No.68007-08-9

CAS: 68007-08-9 Cat. No.: I157495 Fórmula: C₃H₄N₂·HI Peso molecular: 195.99 Número EC: 684-693-0

CALIDAD & PUREZA ≥98%(T)

Synonyms

1H-imidazole;hydroiodide | IMIDAZOLE HYDROIODIDE (LOW WATER CONTENT) | DTXSID101335386 | imidazole hydroiodide | T72823 | imidazolium iodide | SCHEMBL1916716 | I0970 | 1H-Imidazole hydroiodide (1:1) | MFCD28975115

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificaciones

Sinónimos

1H-imidazole;hydroiodide | IMIDAZOLE HYDROIODIDE (LOW WATER CONTENT) | DTXSID101335386 | imidazole hydroiodide | T72823 | imidazolium iodide | SCHEMBL1916716 | I0970 | 1H-Imidazole hydroiodide (1:1) | MFCD28975115

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

Pubchem Sid

504766969

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766969

Sonrisas canónicas

C1=CN=CN1.I

IUPAC Name

1H-imidazole;hydroiodide

InChIKey

JBOIAZWJIACNJF-UHFFFAOYSA-N

INCHI

1S/C3H4N2.HI/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H

Isómeros SMILES

C1=CN=CN1.I

Peso molecular

195.99

Reaxy-Rn

13909133

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13909133&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Moisture sensitive
• Peso molecular: 195.990 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.95 Da
• Monoisotopic Mass: 195.95 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.100
• 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: 2

XLogP3