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

• ChemBase ID: 142541
• Molecular Formular: C24H15I3
• Molecular Mass: 684.08931
• Monoisotopic Mass: 683.83079448
• SMILES: c1cc(ccc1c1cc(cc(c1)c1ccc(cc1)I)c1ccc(cc1)I)I
• Canonical SMILES: Ic1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)I)c1ccc(cc1)I
• InChI: InChI=1S/C24H15I3/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: KGLWDSJGGFTHHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 151417-38-8
• MDL Number: MFCD07369795
• PubChem SID: 162236769; 24884206
• PubChem CID: 10842293

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.701756
• LogD (pH = 7.4): 9.701756
• Log P: 9.701756
• Molar Refractivity: 141.5541 cm^3
• Polarizability: 58.060562 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 254-260 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%
• Empirical Formula (Hill Notation): C24H15I3

DETAILS

Sigma Aldrich - 656453

Application
Building block in a synthesis of C3-symmetric nano-sized polyaromatics1 and molecular propellers.2
Packaging
1, 5 g in glass bottle