4-Iodotriphenylamin - ≥98% , CAS No.38257-52-2

CAS: 38257-52-2 Cat. No.: I157434 Summenformel: C₁₈H₁₄IN Molekulargewicht: 371.22 EG-Nummer: 811-086-1

GRADE & PURITY ≥98%

Synonyms

4-iodo-N,N-diphenylBenzenamine | 4-diphenylamino-iodobenzene | A852699 | 4-Iodo-N,N-diphenylaniline, 98% | DS-4631 | SB66968 | MFCD11046352 | 4-Iodo-N,N-diphenylaniline | 4-Iodo-N.N-diphenylaniline | 4-iodotriphenylamine | 4-iodotriphenylamine;4-Iodo-N,N-

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

4-iodo-N,N-diphenylBenzenamine | 4-diphenylamino-iodobenzene | A852699 | 4-Iodo-N,N-diphenylaniline, 98% | DS-4631 | SB66968 | MFCD11046352 | 4-Iodo-N,N-diphenylaniline | 4-Iodo-N.N-diphenylaniline | 4-iodotriphenylamine | 4-iodotriphenylamine;4-Iodo-N,N-

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504768742

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768742

Kanonisches Lächeln

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)I

IUPAC Name

4-iodo-N,N-diphenylaniline

InChIKey

OWWVTWHBNAWUJO-UHFFFAOYSA-N

INCHI

1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

Isomere SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)I

Molekulargewicht

371.22

Reaxy-Rn

2115275

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Aniline and substituted anilines Iodobenzenes Aryl iodides Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Organopnictogen compound - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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: light sensitive
• Schmelzpunkt (°C): 109 °C
• Molekulargewicht: 371.200 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 371.017 Da
• Monoisotopic Mass: 371.017 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 255.000
• 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