1,2-dibromo-4,5-dimethoxybenzene

• ChemBase ID: 109911
• Molecular Formular: C8H8Br2O2
• Molecular Mass: 295.95592
• Monoisotopic Mass: 293.8891035
• SMILES: COc1cc(Br)c(Br)cc1OC
• Canonical SMILES: COc1cc(Br)c(cc1OC)Br
• InChI: InChI=1S/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
• InChIKey: ZYCLQXMMFJREPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-4,5-dimethoxybenzene
• IUPAC Traditional name: 1,2-dibromo-4,5-dimethoxybenzene
• Synonyms: 4,5-DIBROMOVERATROL; 1,2-Dibromo-4,5-dimethoxybenzene; 4,5-Dibromoveratrole; 4,5-二溴-1,2-二甲氧基苯

Database IDs

• CAS Number: 37895-73-1
• EC Number: 253-705-2
• MDL Number: MFCD00014894
• Beilstein Number: 1953148
• PubChem SID: 162096347
• PubChem CID: 2758033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1954086
• LogD (pH = 7.4): 3.1954086
• Log P: 3.1954086
• Molar Refractivity: 54.23 cm^3
• Polarizability: 21.302254 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-92°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%

DETAILS

MP Biomedicals - 05212999

MP Biomedicals Rare Chemical collection