Tris(4-bromophenyl)amine - ≥98% , CAS No.4316-58-9

CAS: 4316-58-9 Cat. No.: T107949 Molecular Weight: 482.01 EC Number: 628-703-3 PubChem CID: 258027

GRADE & PURITY ≥98%

Synonyms

4-Bromo-N,N-bis(4-bromophenyl)aniline | 4,4',4''-TRIBROMOTRIPHENYLAMINE | FT-0669859 | SY005733 | Amine, tris(4-bromophenyl)- | p,p',p''-Tribromotriphenylamine | FT-0635225 | tri(4-bromophenyl)amine | tris-(4-bromophenyl)amine | Tris(4-bromophenyl)amine |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Tris(4-bromophenyl)amine was used in the synthesis of porous luminescent covalent--organic polymers (COPs)

Specifications

Synonyms

4-Bromo-N, N-bis(4-bromophenyl)aniline | 4, 4', 4''-TRIBROMOTRIPHENYLAMINE | FT-0669859 | SY005733 | Amine, tris(4-bromophenyl)- | p, p', p''-Tribromotriphenylamine | FT-0635225 | tri(4-bromophenyl)amine | tris-(4-bromophenyl)amine | Tris(4-bromophenyl)amine |

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758166
• Canonical Smiles: C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)Br
• IUPAC Name: 4-bromo-N,N-bis(4-bromophenyl)aniline
• InChIKey: ZRXVCYGHAUGABY-UHFFFAOYSA-N
• INCHI: 1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
• Isomeric SMILES: C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)Br
• WGK Germany: 3
• PubChem CID: 258027
• Molecular Weight: 482.01
• Reaxy-Rn: 2812661

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Organopnictogen compounds 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 - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in toluene.
• Sensitivity: Light Sensitive,Air Sensitive
• Melt Point(°C): 141-143°C
• Molecular Weight: 482.000 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 480.85 Da
• Monoisotopic Mass: 478.852 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 275.000
• 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

References

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