4-Bromodiphenylamine - ≥97% , CAS No.54446-36-5

CAS: 54446-36-5 Cat. No.: B102492 Formule: C₁₂H₁₀BrN Poids moléculaire: 248.12 Numéro CE: 626-191-6

GRADE & PURITY ≥97%

Synonyms

SCHEMBL490926 | DTXSID10423761 | FT-0640252 | (4-bromophenyl)phenylamine | (4-BROMO-PHENYL)-PHENYL-AMINE | MFCD07779504 | AKOS015915400 | DS-0944 | 4-Bromodiphenylamine, 97% | 4-bromo-N-phenylaniline | AB42496 | Z1269229478 | EN300-7358812 | O11193 | 4-Br

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

SCHEMBL490926 | DTXSID10423761 | FT-0640252 | (4-bromophenyl)phenylamine | (4-BROMO-PHENYL)-PHENYL-AMINE | MFCD07779504 | AKOS015915400 | DS-0944 | 4-Bromodiphenylamine, 97% | 4-bromo-N-phenylaniline | AB42496 | Z1269229478 | EN300-7358812 | O11193 | 4-Br

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488195759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195759
• Sourires canoniques: C1=CC=C(C=C1)NC2=CC=C(C=C2)Br
• IUPAC Name: 4-bromo-N-phenylaniline
• InChIKey: CCIVUDMVXNBUCY-UHFFFAOYSA-N
• INCHI: 1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
• Isomères SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)Br
• WGK Allemagne: 2
• Numéro ONU: 3077
• Poids moléculaire: 248.12
• Reaxy-Rn: 2092704
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092704&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: Bromobenzenes Primary aromatic amines Aryl bromides Secondary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Bromobenzene - Primary aromatic amine - Aryl halide - Aryl bromide - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - 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 Toluene
• Sensibilité: light , air sensitive
• Point d'ébullition (°C): 318 °C
• Point de fusion (°C): 85-89°C
• Poids moléculaire: 248.120 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247 Da
• Monoisotopic Mass: 247 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 158.000
• 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

Références

1. Bing Cong, Yuqi Wu, Hongwei Zhou, Chunhai Chen, Xiaogang Zhao.  (2023)  Mixed-valence system with near-infrared electrochromism of Fe(II)-based metal-organic coordination polymers.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2023.111890]