4-Iodopyrazole - ≥98%(HPLC) , CAS No.3469-69-0

CAS: 3469-69-0 Cat. No.: I157632 Summenformel: C₃H₃IN₂ Molekulargewicht: 193.98 Beilstein Registry Number: 23(5)4,179 EG-Nummer: 222-434-1

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

4-iodo pyrazole|4-iodo-1H-pyrazol|4-Iodopyrazole|4-iodo-pyrazole|1H-Pyrazole, 4-iodo-|2-Piperidinecarboxylic acid, 4-(phosphonomethyl)-, cis-|4-Iodo-1H-pyrazole|Rilmenidia [Spanish]|2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoic acid

Storage

Protected from light,Room temperature

Shipped In

Normal

Übersicht

4-Iodopyrazole is a valuable intermediate for the synthesis of biologically active compounds. It undergoes iodination in the presence of iodine and ammonium hydroxide to yield 3,4-di-iodo- and 3,4,5-tri-iodo-pyrazole
4-Iodopyrazole was used in an indium-mediated synthesis of heterobiaryls

Spezifikationen

Synonyme

4-iodo pyrazole | 4-iodo-1H-pyrazol | 4-Iodopyrazole | 4-iodo-pyrazole | 1H-Pyrazole, 4-iodo- | 2-Piperidinecarboxylic acid, 4-(phosphonomethyl)-, cis- | 4-Iodo-1H-pyrazole | Rilmenidia [Spanish] | 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoic acid

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

488185363

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185363

Kanonisches Lächeln

C1=C(C=NN1)I

IUPAC Name

4-iodo-1H-pyrazole

InChIKey

LLNQWPTUJJYTTE-UHFFFAOYSA-N

INCHI

1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

Isomere SMILES

C1=C(C=NN1)I

WGK Deutschland

3

Molekulargewicht

193.98

Beilstein

23(5)4,179

Reaxy-Rn

106756

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106756&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Aryl halides
• Subclass: Aryl iodides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl iodides
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl iodide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Aromatic heteromonocyclic compound
• Beschreibung: 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: pyrazoles - organoiodine compound

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 109 °C
• Molekulargewicht: 193.970 g/mol
• XLogP3: 1.700
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3469-69-0, the molecular formula is C3H3IN2, and the molecular weight is 193.98 g/mol. InChIKey LLNQWPTUJJYTTE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.