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

CAS: 45497-73-2 Cat. No.: A151150 Summenformel: C₆H₇N·HI Molekulargewicht: 221.04 EG-Nummer: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%(HPLC)(N)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(HPLC)(N)

Namen und Kennungen

• Pubchem Sid: 508816450
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508816450
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC=C(C=C1)N.I
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Empfindlichkeit: air sensitive；light sensitive；Moisture sensitive.
• Molekulargewicht: 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