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

• ChemBase ID: 15956
• Molecular Formular: C10H12Br2
• Molecular Mass: 292.01028
• Monoisotopic Mass: 289.93057438
• SMILES: c1(c(c(c(c(c1C)Br)Br)C)C)C
• Canonical SMILES: Cc1c(C)c(C)c(c(c1C)Br)Br
• InChI: InChI=1S/C10H12Br2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h1-4H3
• InChIKey: VEZJOZSIGSNYEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-3,4,5,6-tetramethylbenzene
• IUPAC Traditional name: 1,2-dibromo-3,4,5,6-tetramethylbenzene
• Synonyms: 1,2-Dibromo-3,4,5,6-tetramethylbenzene; 1,2-Dibromo-3,4,5,6-tetramethylbenzene

Database IDs

• CAS Number: 36321-73-0
• MDL Number: MFCD00154987
• PubChem SID: 160979263
• PubChem CID: 2752606

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5644364
• LogD (pH = 7.4): 5.5644364
• Log P: 5.5644364
• Molar Refractivity: 61.4684 cm^3
• Polarizability: 23.060825 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 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: 98%