4-Iodo-1H-imidazole - ≥97% , CAS No.71759-89-2

CAS: 71759-89-2 Cat. No.: I115819 Molecular Weight: 193.97 EC Number: 676-945-3

GRADE & PURITY ≥97%

Synonyms

4(5)-Iodoimidazole | I0812 | 4-Iodo-1H-imidazole # | D00785 | MFCD01632213 | EN300-113762 | 4-Iodo-1H-imidazole | 4-iodo- | 5-iodo-1H-imidazole | 4-Iodo-1(H)-imidazole | FT-0618792 | SCHEMBL111849 | SY001996 | 4-Iodoimidazole | 4-iodo-imidazole | CL2236 |

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4(5)-Iodoimidazole | I0812 | 4-Iodo-1H-imidazole # | D00785 | MFCD01632213 | EN300-113762 | 4-Iodo-1H-imidazole | 4-iodo- | 5-iodo-1H-imidazole | 4-Iodo-1(H)-imidazole | FT-0618792 | SCHEMBL111849 | SY001996 | 4-Iodoimidazole | 4-iodo-imidazole | CL2236 |

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504759505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759505
• Canonical Smiles: C1=C(NC=N1)I
• IUPAC Name: 5-iodo-1H-imidazole
• InChIKey: BHCMXJKPZOPRNN-UHFFFAOYSA-N
• INCHI: 1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
• Isomeric SMILES: C1=C(NC=N1)I
• Molecular Weight: 193.97
• Reaxy-Rn: 906868
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906868&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Light & Air sensitive.
• Melt Point(°C): 137°C
• Molecular Weight: 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