N-(4-bromophenyl)-4-{4-[(4-bromophenyl)amino]phenyl}aniline

• ChemBase ID: 144605
• Molecular Formular: C24H18Br2N2
• Molecular Mass: 494.22112
• Monoisotopic Mass: 491.98367259
• SMILES: c1cc(ccc1c1ccc(cc1)Nc1ccc(cc1)Br)Nc1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)Nc1ccc(cc1)c1ccc(cc1)Nc1ccc(cc1)Br
• InChI: InChI=1S/C24H18Br2N2/c25-19-5-13-23(14-6-19)27-21-9-1-17(2-10-21)18-3-11-22(12-4-18)28-24-15-7-20(26)8-16-24/h1-16,27-28H
• InChIKey: DXTBWEYORVJILO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-bromophenyl)-4-{4-[(4-bromophenyl)amino]phenyl}aniline
• IUPAC Traditional name: N-(4-bromophenyl)-4-{4-[(4-bromophenyl)amino]phenyl}aniline
• Synonyms: N,N′-Bis(4-bromophenyl)benzidine; N,N′-双(4-溴苯基)联苯胺

Database IDs

• CAS Number: 585570-08-7
• MDL Number: MFCD08457645
• PubChem SID: 24884759; 162238817
• PubChem CID: 16218162

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 8.037819
• LogD (pH = 7.4): 8.0378275
• Log P: 8.037828
• Molar Refractivity: 123.4122 cm^3
• Polarizability: 48.054024 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 221-225 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C24H18Br2N2

DETAILS

Sigma Aldrich - 665703

Packaging
1 g in glass bottle