2-fluoro-1,4-dimethoxybenzene

• ChemBase ID: 95150
• Molecular Formular: C8H9FO2
• Molecular Mass: 156.1542632
• Monoisotopic Mass: 156.05865775
• SMILES: O(c1c(cc(cc1)OC)F)C
• Canonical SMILES: COc1ccc(c(c1)F)OC
• InChI: InChI=1S/C8H9FO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
• InChIKey: WNCYZVMZKSOPMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-1,4-dimethoxybenzene
• IUPAC Traditional name: 2-fluoro-1,4-dimethoxybenzene
• Synonyms: 2-Fluorohydroquinone dimethyl ether; 1,4-Dimethoxy-2-fluorobenzene 97%; 1,4-Dimethoxy-2-fluorobenzene; 2-Fluoro-1,4-dimethoxybenzene; 1,4-Dimethoxy-2-fluorobenzene; 2-Fluoro-1,4-dimethoxybenzene; 1,4-二甲氧基-2-氟苯

Database IDs

• CAS Number: 82830-49-7
• MDL Number: MFCD00042487
• Beilstein Number: 6387735
• PubChem SID: 162081800
• PubChem CID: 145002

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8006052
• LogD (pH = 7.4): 1.8006052
• Log P: 1.8006052
• Molar Refractivity: 39.2008 cm^3
• Polarizability: 15.064805 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 23-26°C; 23-26°C
• Boiling Point: 119-121°C/40mm; 119-121°C/40mm
• Refractive Index: 1.5044

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%