1,2-diiodo-3,4,5,6-tetramethylbenzene

• ChemBase ID: 15957
• Molecular Formular: C10H12I2
• Molecular Mass: 386.01122
• Monoisotopic Mass: 385.90284638
• SMILES: c1(c(c(c(c(c1C)I)I)C)C)C
• Canonical SMILES: Cc1c(C)c(C)c(c(c1C)I)I
• InChI: InChI=1S/C10H12I2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h1-4H3
• InChIKey: ZACBVOGAUCKCHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diiodo-3,4,5,6-tetramethylbenzene
• IUPAC Traditional name: 1,2-diiodo-3,4,5,6-tetramethylbenzene
• Synonyms: 1,2-Diiodo-3,4,5,6-tetramethylbenzene

Database IDs

• CAS Number: 5503-82-2
• MDL Number: MFCD06656523
• PubChem SID: 160979264
• PubChem CID: 633546

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8848205
• LogD (pH = 7.4): 5.8848205
• Log P: 5.8848205
• Molar Refractivity: 72.9478 cm^3
• Polarizability: 27.805182 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%