4,4'-Dibromotriphenylamine - ≥98% , CAS No.81090-53-1

CAS: 81090-53-1 Cat. No.: D121330 Summenformel: C₁₈H₁₃Br₂N Molekulargewicht: 403.11 EG-Nummer: 626-530-8

QUALITÄT & REINHEIT ≥98%

Synonyms

AKOS015901922 | D5603 | KIGVOJUDEQXKII-UHFFFAOYSA-N | Dibromotriphenylamine | 4-bromo-N-(4-bromophenyl)-N-phenylBenzenamine | MFCD00060104 | Benzenamine, 4-bromo-N-(4-bromophenyl)-N-phenyl- | 4,4'-Dibromotriphenylamine | 4,4'-Dibromo-triphenylamine | 4,4-

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Hole transport material and building block for hole transport materials.

Spezifikationen

Synonyme

AKOS015901922 | D5603 | KIGVOJUDEQXKII-UHFFFAOYSA-N | Dibromotriphenylamine | 4-bromo-N-(4-bromophenyl)-N-phenylBenzenamine | MFCD00060104 | Benzenamine, 4-bromo-N-(4-bromophenyl)-N-phenyl- | 4,4'-Dibromotriphenylamine | 4,4'-Dibromo-triphenylamine | 4,4-

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504767449

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767449

Kanonisches Lächeln

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

IUPAC Name

4-bromo-N-(4-bromophenyl)-N-phenylaniline

InChIKey

KIGVOJUDEQXKII-UHFFFAOYSA-N

INCHI

1S/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

403.11

Reaxy-Rn

7094354

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7094354&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 Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - 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

• Flammpunkt (°F): 230°F
• Flammpunkt (°C): >110℃
• Schmelzpunkt (°C): 85°C
• Molekulargewicht: 403.100 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 402.939 Da
• Monoisotopic Mass: 400.941 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 278.000
• 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