1-(bromomethyl)-2-fluoro-4-methoxybenzene

• ChemBase ID: 93092
• Molecular Formular: C8H8BrFO
• Molecular Mass: 219.0509232
• Monoisotopic Mass: 217.9742551
• SMILES: BrCc1c(cc(cc1)OC)F
• Canonical SMILES: COc1ccc(c(c1)F)CBr
• InChI: InChI=1S/C8H8BrFO/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
• InChIKey: MGGMXOCLNXDSEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2-fluoro-4-methoxybenzene
• IUPAC Traditional name: 1-(bromomethyl)-2-fluoro-4-methoxybenzene
• Synonyms: 4-(Bromomethyl)-3-fluoroanisole; 1-(Bromomethyl)-2-fluoro-4-methoxybenzene; 2-Fluoro-4-methoxybenzyl bromide 97%; 2-Fluoro-4-methoxybenzyl bromide; 2-FLUORO-4-METHOXYBENZYL BROMIDE; 2-氟-4-甲氧基苄溴

Database IDs

• CAS Number: 54788-19-1
• MDL Number: MFCD09261045
• PubChem SID: 162079781
• PubChem CID: 10955033

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7310138
• LogD (pH = 7.4): 2.7310138
• Log P: 2.7310138
• Molar Refractivity: 45.588 cm^3
• Polarizability: 17.209585 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Light Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• 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%; 98%