1-AZIDO-4-IODOBENZENE SOLUTION , CAS No.53694-87-4

CAS: 53694-87-4 Cat. No.: A701486 Formule: C₆H₄IN₃ Poids moléculaire: 245.02 Numéro CE: 663-490-0 PubChem CID: 3016836

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Propriétés du produit

ALogP

3.2

Noms et identifiants

Sourires canoniques

C1=CC(=CC=C1N=[N+]=[N-])I

IUPAC Name

1-azido-4-iodobenzene

InChIKey

FJOKWWVZXVTOIR-UHFFFAOYSA-N

INCHI

1S/C6H4IN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H

Isomères SMILES

C1=CC(=CC=C1N=[N+]=[N-])I

PubChem CID

3016836

Poids moléculaire

245.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylazides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylazides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylazides
• Alternative Parents: Iodobenzenes Aryl iodides Azo imides Azo compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylazide - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Azo imide - Azo compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylazides. These are compounds containing a phenylazide moiety, which consists of a linear azide substituent attached to a phenyl 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 245.020 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.945 Da
• Monoisotopic Mass: 244.945 Da
• Topological Polar Surface Area: 14.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 145.000
• 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

How should this product be stored?

Store at room temperature.

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

The CAS Number is 53694-87-4, the molecular formula is C6H4IN3, and the molecular weight is 245.02 g/mol. InChIKey FJOKWWVZXVTOIR-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.