1,5-dibromo-2,4-dimethylbenzene

• ChemBase ID: 89164
• Molecular Formular: C8H8Br2
• Molecular Mass: 263.95712
• Monoisotopic Mass: 261.89927426
• SMILES: Brc1c(cc(c(c1)Br)C)C
• Canonical SMILES: Brc1cc(Br)c(cc1C)C
• InChI: InChI=1S/C8H8Br2/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3
• InChIKey: SOYPUUFPUFRXRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dibromo-2,4-dimethylbenzene
• IUPAC Traditional name: 1,5-dibromo-2,4-dimethylbenzene
• Synonyms: 4,6-Dibromo-m-xylene; 1,5-Dibromo-2,4-dimethylbenzene

Database IDs

• CAS Number: 615-87-2
• MDL Number: MFCD00154984
• PubChem SID: 162076048
• PubChem CID: 621990

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.537594
• LogD (pH = 7.4): 4.537594
• Log P: 4.537594
• Molar Refractivity: 51.386 cm^3
• Polarizability: 19.604025 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71-72°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive