1,4-diiodo-2,5-dimethylbenzene

• ChemBase ID: 74023
• Molecular Formular: C8H8I2
• Molecular Mass: 357.95806
• Monoisotopic Mass: 357.87154626
• SMILES: Ic1c(cc(c(c1)C)I)C
• Canonical SMILES: Cc1cc(I)c(cc1I)C
• InChI: InChI=1S/C8H8I2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
• InChIKey: WJYYUEQVECTILJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diiodo-2,5-dimethylbenzene
• IUPAC Traditional name: 1,4-diiodo-2,5-dimethylbenzene
• Synonyms: 2,5-Diiodo-p-xylene; 1,4-Diiodo-2,5-dimethylbenzene

Database IDs

• CAS Number: 1124-08-9
• MDL Number: MFCD00829126
• PubChem SID: 162038942
• PubChem CID: 2736171

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8579774
• LogD (pH = 7.4): 4.8579774
• Log P: 4.8579774
• Molar Refractivity: 62.8654 cm^3
• Polarizability: 24.362923 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-104°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive

Product Information

• Purity: 97%