2-iodo-1,3-diphenylbenzene

• ChemBase ID: 296292
• Molecular Formular: C18H13I
• Molecular Mass: 356.20029
• Monoisotopic Mass: 356.00619842
• SMILES: c1ccc(cc1)c1cccc(c1I)c1ccccc1
• Canonical SMILES: Ic1c(cccc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H13I/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H
• InChIKey: RLZYBGOJAWOQMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-1,3-diphenylbenzene
• IUPAC Traditional name: 2-iodo-1,3-diphenylbenzene
• Synonyms: 2'-Iodo-1,1':3',1''-terphenyl; 2'-碘--1,1':3',1''-三联苯

Database IDs

• CAS Number: 82777-09-1
• MDL Number: MFCD00185026
• PubChem SID: 180681823
• PubChem CID: 4078433

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.196641
• LogD (pH = 7.4): 6.196641
• Log P: 6.196641
• Molar Refractivity: 89.6929 cm^3
• Polarizability: 37.11908 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 113-116°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%