2-bromo-1,3-difluoro-5-methoxybenzene

• ChemBase ID: 69569
• Molecular Formular: C7H5BrF2O
• Molecular Mass: 223.0148064
• Monoisotopic Mass: 221.94918322
• SMILES: c1(c(c(cc(c1)OC)F)Br)F
• Canonical SMILES: COc1cc(F)c(c(c1)F)Br
• InChI: InChI=1S/C7H5BrF2O/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3H,1H3
• InChIKey: GEJMNTXYFBBTFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,3-difluoro-5-methoxybenzene
• IUPAC Traditional name: 2-bromo-1,3-difluoro-5-methoxybenzene
• Synonyms: 4-Bromo-3,5-difluoroanisole; 3,5-Difluoro-4-Bromoanisole; 2-Bromo-1,3-difluoro-5-methoxybenzene; 2-Bromo-1,3-difluoro-5-methoxybenzene; 4-Bromo-3,5-difluorophenyl methyl ether; 4-Bromo-3,5-difluoroanisole 99%; 4-BroMo-3,5-difluoroanisole; 4-溴-3,5-二氟苯甲醚

Database IDs

• CAS Number: 202865-61-0
• MDL Number: MFCD00143268
• PubChem SID: 162035295
• PubChem CID: 2724984

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.869731
• LogD (pH = 7.4): 2.869731
• Log P: 2.869731
• Molar Refractivity: 40.5768 cm^3
• Polarizability: 15.434577 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26-30°C; 26-30°C
• Refractive Index: 1.5228

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95+%; 98%