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

• ChemBase ID: 95055
• Molecular Formular: C8H8BrFO
• Molecular Mass: 219.0509232
• Monoisotopic Mass: 217.9742551
• SMILES: BrCc1c(ccc(c1)F)OC
• Canonical SMILES: BrCc1cc(F)ccc1OC
• InChI: InChI=1S/C8H8BrFO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
• InChIKey: LXUGHXUXEMUEKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-4-fluoro-1-methoxybenzene
• IUPAC Traditional name: 2-(bromomethyl)-4-fluoro-1-methoxybenzene
• Synonyms: 2-(Bromomethyl)-4-fluoroanisole; 2-(Bromomethyl)-4-fluoro-1-methoxybenzene; alpha-Bromo-5-fluoro-2-methoxytoluene; 5-Fluoro-2-methoxybenzyl bromide 97%; 5-Fluoro-2-methoxybenzyl bromide; 2-Methyloxy-5-fluorobenzyl bromide; 5-氟-2-甲氧基溴苄

Database IDs

• CAS Number: 700381-18-6
• MDL Number: MFCD00671769
• PubChem SID: 162081706
• PubChem CID: 20111745

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: 17.209724 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-62°C; 58-62°C

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Light Sensitive
• 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: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 98+%