3-Iodopyrazole - ≥97%(GC) , CAS No.4522-35-4

CAS: 4522-35-4 Cat. No.: I157634 Fórmula: C₃H₃IN₂ Peso molecular: 193.98 Número EC: 691-559-5

GRADE & PURITY ≥97%(GC)

Synonyms

AC-30770 | PB15017 | AKOS005072040 | iodopyrazole | iodo-pyrazole | AM20070657 | SB19879 | DTXSID10963354 | I1016 | J-512674 | 5-iodo-1H-pyrazole | A21706 | 1007351-17-8 | 3-iodopyrazole | SCHEMBL14838716 | 5-iodopyrazole | SY026658 | 3-Iodo-1H-pyrazole |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-30770 | PB15017 | AKOS005072040 | iodopyrazole | iodo-pyrazole | AM20070657 | SB19879 | DTXSID10963354 | I1016 | J-512674 | 5-iodo-1H-pyrazole | A21706 | 1007351-17-8 | 3-iodopyrazole | SCHEMBL14838716 | 5-iodopyrazole | SY026658 | 3-Iodo-1H-pyrazole |

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488191751
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191751
• Sonrisas canónicas: C1=C(NN=C1)I
• IUPAC Name: 5-iodo-1H-pyrazole
• InChIKey: RUKDVLFJSMVBLV-UHFFFAOYSA-N
• INCHI: 1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
• Isómeros SMILES: C1=C(NN=C1)I
• Peso molecular: 193.98
• Reaxy-Rn: 14519462
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14519462&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: 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
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Light & Air Sensitive
• Punto de fusión (°C): 70 °C
• Peso molecular: 193.970 g/mol
• XLogP3: 0.900
• 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

Preguntas frecuentes

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

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 4522-35-4, the molecular formula is C3H3IN2, and the molecular weight is 193.98 g/mol. InChIKey RUKDVLFJSMVBLV-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.