2,4-dibromo-1-methoxybenzene

• ChemBase ID: 89058
• Molecular Formular: C7H6Br2O
• Molecular Mass: 265.92994
• Monoisotopic Mass: 263.87853881
• SMILES: O(c1c(cc(cc1)Br)Br)C
• Canonical SMILES: COc1ccc(cc1Br)Br
• InChI: InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
• InChIKey: XGXUGXPKRBQINS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-1-methoxybenzene
• IUPAC Traditional name: 2,4-dibromo-1-methoxybenzene
• Synonyms: 2,4-Dibromoanisole; 2,4-Dibromoanisole; 2,4-二溴苯甲醚

Database IDs

• CAS Number: 21702-84-1
• EC Number: 244-536-5
• MDL Number: MFCD00000079
• Beilstein Number: 2045290
• PubChem SID: 162075944
• PubChem CID: 27011

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.3530798
• Log P: 3.3530798
• Molar Refractivity: 47.7668 cm^3
• Polarizability: 18.74039 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3530798

PROPERTIES

Physical Property

• Melting Point: 60-64°C
• Boiling Point: 82-88°C/0.3mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%

DETAILS

MP Biomedicals - 05215990

MP Biomedicals Rare Chemical collection