5-Iodoindole - ≥98% , CAS No.16066-91-4

CAS: 16066-91-4 Cat. No.: I122983 Formule: C₈H₆IN Poids moléculaire: 243.04 Numéro CE: 628-024-2

QUALITÉ & PURETÉ ≥98%

Synonyms

5-iodanyl-1H-indole | FT-0620505 | TVQLYTUWUQMGMP-UHFFFAOYSA-N | Maybridge1_006499 | STL557348 | SY030018 | 5-Iodoindole, 97% | A810167 | BBL103538 | EN300-67041 | AB04939 | CCG-247892 | MFCD00220065 | A3555 | HMS559P09 | 1H-Indole, 5-iodo- | 5-Iodoindole

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

5-Iodoindole can be synthesized via nitration of m-toluidine.

5-Iodoindole (5-iodogramine) may be used in the synthesis of the following:

• 3-dimethylaminomethyl-5-iodoindole via reaction with dimethyl amine and formaldehyde

• 5-ethynyl-1H-indole obtained via refluxing with trimethylsilylacetylene in the presence of triethylamine, catalyzed by palladium and copper(I)iodide in acetonitrile

• 5-(3-hydroxyprop-1-enyl)-1H-indole via reaction with allyl alcohol in the presence of triphenyl phosphine, palladium acetate and silver acetate in dimethylformamide

• 5-(3-benzyloxyprop-1-enyl)-1H-indole via reaction with allylbenzyl ether in the presence of triphenyl phosphine, palladium acetate and silver acetate in dimethylformamide

• 5-(2-phenylethynyl)-1H-indole via refluxing with phenylacetylene catalyzed by copper(I)iodide and palladium in the presence of triethylamine in acetonitrile

Spécifications

Synonymes

5-iodanyl-1H-indole | FT-0620505 | TVQLYTUWUQMGMP-UHFFFAOYSA-N | Maybridge1_006499 | STL557348 | SY030018 | 5-Iodoindole, 97% | A810167 | BBL103538 | EN300-67041 | AB04939 | CCG-247892 | MFCD00220065 | A3555 | HMS559P09 | 1H-Indole, 5-iodo- | 5-Iodoindole

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504762065

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762065

Sourires canoniques

C1=CC2=C(C=CN2)C=C1I

IUPAC Name

5-iodo-1H-indole

InChIKey

TVQLYTUWUQMGMP-UHFFFAOYSA-N

INCHI

1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

Isomères SMILES

C1=CC2=C(C=CN2)C=C1I

WGK Allemagne

3

Poids moléculaire

243.04

Reaxy-Rn

113177

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113177&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl iodides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Aryl iodide - Aryl halide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Propriétés chimiques et physiques

• Sensibilité: Light Sensitive
• Point de fusion (°C): 97-100°C
• Poids moléculaire: 243.040 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 242.954 Da
• Monoisotopic Mass: 242.954 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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

Foire aux questions

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.

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 16066-91-4, the molecular formula is C8H6IN, and the molecular weight is 243.04 g/mol. InChIKey TVQLYTUWUQMGMP-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.