Phenylammonium iodide(PhAI) - ≥98%(HPLC)(N) , CAS No.45497-73-2

CAS: 45497-73-2 Cat. No.: A151150 Formule: C₆H₇N·HI Poids moléculaire: 221.04 Numéro CE: 256-239-8

GRADE & PURITY ≥98%(HPLC)(N)

Synonyms

AKOS037645068 | SY059994 | MFCD21607646 | Phenylammonium iodide | Benzenamine, hydriodide | DTXSID70963395 | Aniline--hydrogen iodide (1/1) | Aniline hydroiodide | VBA49773 | NSC136504 | NSC-136504 | T70935 | aniline;hydroiodide | AS-56784

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

The iodide and bromide based alkylated halides find applications as precursors for fabrication of perovskites for photovoltaic applications.

Specifications

Synonymes

AKOS037645068 | SY059994 | MFCD21607646 | Phenylammonium iodide | Benzenamine, hydriodide | DTXSID70963395 | Aniline--hydrogen iodide (1/1) | Aniline hydroiodide | VBA49773 | NSC136504 | NSC-136504 | T70935 | aniline;hydroiodide | AS-56784

Spécifications et pureté

≥98%(HPLC)(N)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(HPLC)(N)

Noms et identifiants

Pubchem Sid

508816450

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816450

Sourires canoniques

C1=CC=C(C=C1)N.I

IUPAC Name

aniline;hydroiodide

InChIKey

KFQARYBEAKAXIC-UHFFFAOYSA-N

INCHI

1S/C6H7N.HI/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H

Isomères SMILES

C1=CC=C(C=C1)N.I

Poids moléculaire

221.04

Reaxy-Rn

3909890

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3909890&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Organic iodide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Solubilité: Soluble in water
• Sensibilité: air sensitive；light sensitive；Moisture sensitive.
• Poids moléculaire: 221.040 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.97 Da
• Monoisotopic Mass: 220.97 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.100
• 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: 2

XLogP3