1-fluoro-2-methoxybenzene

• ChemBase ID: 8754
• Molecular Formular: C7H7FO
• Molecular Mass: 126.1282832
• Monoisotopic Mass: 126.04809306
• SMILES: c1ccc(c(c1)OC)F
• Canonical SMILES: COc1ccccc1F
• InChI: InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
• InChIKey: JIXDOBAQOWOUPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-methoxybenzene
• IUPAC Traditional name: 2-fluoroanisole
• Synonyms: 2-Fluoroanisole; o-FLUOROANISOLE; 2-Fluoroanisole; 2-Fluoroanisole; 2-Fluorophenyl methyl ether; 1-Fluoro-2-methoxybenzene; 2-Fluoroanisole 99%; 邻氟苯甲醚; 2-氟苯甲醚

Database IDs

• CAS Number: 321-28-8
• EC Number: 206-284-4
• MDL Number: MFCD00000316
• Beilstein Number: 1859755
• PubChem SID: 160972061; 24894859
• PubChem CID: 67576

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9582765
• LogD (pH = 7.4): 1.9582765
• Log P: 1.9582765
• Molar Refractivity: 32.7376 cm^3
• Polarizability: 12.516886 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -39 °C(lit.); -39°C; -39°C
• Boiling Point: 154-155 °C(lit.); 154-155°C; 154-155°C
• Flash Point: 127 °F; 127.4 °F; 53 °C; 56°C(133°F); 60°C
• Density: 1.124; 1.124 g/mL at 25 °C(lit.)
• Refractive Index: 1.494; 1.4940; n20/D 1.494(lit.); n20/D 1.496

Safety Information

• Storage Warning: FLAMMABLE; Flammable
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10
• TSCA Listed: false; 否
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥95.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: FC6H4OCH3

DETAILS

MP Biomedicals - 05210846

MP Biomedicals Rare Chemical collection

Sigma Aldrich - F4203

Packaging
25, 100 mL in glass bottle