1,3,5-tris(4-bromophenyl)benzene

• ChemBase ID: 142655
• Molecular Formular: C24H15Br3
• Molecular Mass: 543.0879
• Monoisotopic Mass: 539.87238648
• SMILES: c1cc(ccc1c1cc(cc(c1)c1ccc(cc1)Br)c1ccc(cc1)Br)Br
• Canonical SMILES: Brc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)Br)c1ccc(cc1)Br
• InChI: InChI=1S/C24H15Br3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H
• InChIKey: HJQRITCAXSBOPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-tris(4-bromophenyl)benzene
• IUPAC Traditional name: 1,3,5-tris(4-bromophenyl)benzene
• Synonyms: 1,3,5-Tris(4-bromophenyl)benzene; 1,3,5-三(4-溴苯基)苯

Database IDs

• CAS Number: 7511-49-1
• MDL Number: MFCD00362911
• PubChem SID: 162236881
• PubChem CID: 232761

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.22118
• LogD (pH = 7.4): 9.22118
• Log P: 9.22118
• Molar Refractivity: 124.335 cm^3
• Polarizability: 51.141575 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 261-265 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318-H413
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C24H15Br3

DETAILS

Sigma Aldrich - 648906

Packaging
1, 5 g in glass bottle