1-(bromomethyl)-2,3-difluoro-4-methoxybenzene

• ChemBase ID: 296209
• Molecular Formular: C8H7BrF2O
• Molecular Mass: 237.0413864
• Monoisotopic Mass: 235.96483328
• SMILES: COc1ccc(c(c1F)F)CBr
• Canonical SMILES: COc1ccc(c(c1F)F)CBr
• InChI: InChI=1S/C8H7BrF2O/c1-12-6-3-2-5(4-9)7(10)8(6)11/h2-3H,4H2,1H3
• InChIKey: AMLNZEUOTXDYNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2,3-difluoro-4-methoxybenzene
• IUPAC Traditional name: 1-(bromomethyl)-2,3-difluoro-4-methoxybenzene
• Synonyms: 2,3-Difluoro-4-methoxybenzyl bromide; 2,3-二氟-4-甲氧基苄溴

Database IDs

• CAS Number: 689254-23-7
• MDL Number: MFCD04115985
• PubChem SID: 180681740
• PubChem CID: 5020236

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8737159
• LogD (pH = 7.4): 2.8737159
• Log P: 2.8737159
• Molar Refractivity: 45.8044 cm^3
• Polarizability: 17.103422 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%