2-(bromomethyl)-1-fluoro-3-methoxybenzene

• ChemBase ID: 93499
• Molecular Formular: C8H8BrFO
• Molecular Mass: 219.0509232
• Monoisotopic Mass: 217.9742551
• SMILES: O(c1cccc(c1CBr)F)C
• Canonical SMILES: COc1cccc(c1CBr)F
• InChI: InChI=1S/C8H8BrFO/c1-11-8-4-2-3-7(10)6(8)5-9/h2-4H,5H2,1H3
• InChIKey: PVKFBCBTHHTDEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-1-fluoro-3-methoxybenzene
• IUPAC Traditional name: 2-(bromomethyl)-1-fluoro-3-methoxybenzene
• Synonyms: 2-Fluoro-6-methoxybenzyl bromide; 2-(Bromomethyl)-3-fluoroanisole; 2-(Bromomethyl)-1-fluoro-3-methoxybenzene; 2-(Bromomethyl)-3-fluorophenyl methyl ether; 2-Fluoro-6-methoxybenzyl bromide; 2-氟-6-甲氧基苄基溴

Database IDs

• CAS Number: 500912-17-4
• MDL Number: MFCD08688579
• PubChem SID: 162080184
• PubChem CID: 2779322

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: 17.209822 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 18-21°C; 18-21°C
• Refractive Index: 1.5570

Safety Information

• Storage Warning: Corrosive/Irritant/Lachrymatory/Light Sensitive/Store under Argon/Keep Cold; Moisture 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: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 98%