6-Iodoindazole - ≥98% , CAS No.261953-36-0

CAS: 261953-36-0 Cat. No.: I157583 Summenformel: C₇H₅IN₂ Molekulargewicht: 244.04 EG-Nummer: 607-884-2

GRADE & PURITY ≥98%

Synonyms

6-Iodo(1H)indazole | DTXSID60514491 | J-518802 | A5203 | EC 607-884-2 | AC-23729 | I0933 | AM20040046 | EN300-121716 | PB29317 | BCP00928 | 1H-Indazole, 6-iodo- | 6-Iodoindazole | AKOS015853878 | SCHEMBL1141578 | 6-Iodoindazole;1H-Indazole, 6-iodo- | FT-0

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

6-Iodo(1H)indazole | DTXSID60514491 | J-518802 | A5203 | EC 607-884-2 | AC-23729 | I0933 | AM20040046 | EN300-121716 | PB29317 | BCP00928 | 1H-Indazole, 6-iodo- | 6-Iodoindazole | AKOS015853878 | SCHEMBL1141578 | 6-Iodoindazole;1H-Indazole, 6-iodo- | FT-0

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488198317

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198317

Kanonisches Lächeln

C1=CC2=C(C=C1I)NN=C2

IUPAC Name

6-iodo-1H-indazole

InChIKey

RSGAXJZKQDNFEP-UHFFFAOYSA-N

INCHI

1S/C7H5IN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)

Isomere SMILES

C1=CC2=C(C=C1I)NN=C2

Molekulargewicht

244.04

Reaxy-Rn

11054750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11054750&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Benzenoids Aryl iodides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Aryl halide - Aryl iodide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive ；light sensitive
• Schmelzpunkt (°C): 209 °C
• Molekulargewicht: 244.030 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 243.95 Da
• Monoisotopic Mass: 243.95 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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?

This product is supplied at ≥98% purity (chemical assay). 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 261953-36-0, the molecular formula is C7H5IN2, and the molecular weight is 244.04 g/mol. InChIKey RSGAXJZKQDNFEP-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.