3-fluoro-2-methoxyaniline

• ChemBase ID: 68232
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: Nc1c(c(ccc1)F)OC
• Canonical SMILES: COc1c(N)cccc1F
• InChI: InChI=1S/C7H8FNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
• InChIKey: RCYMPYMITUEHOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-methoxyaniline
• IUPAC Traditional name: 3-fluoro-2-methoxyaniline
• Synonyms: 3-Fluoro-2-methoxyaniline; 3-Fluoro-2-methoxybenzenenamine; 3-Fluoro-2-methoxyphenylamine; 3-Fluoro-2-methoxyaniline; 2-Amino-6-fluoroanisole; 3-Fluoro-o-anisidine; 3-Fluoro-2-methoxyaniline 99%; 3-fluoro-2-methoxyphenylamine; 3-Fluoro-2-methoxyaniline, JRD; 3-氟-2-甲氧基苯胺, JRD

Database IDs

• CAS Number: 437-83-2
• MDL Number: MFCD00007759
• PubChem SID: 162033964
• PubChem CID: 581109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1262052
• LogD (pH = 7.4): 1.1293108
• Log P: 1.1293505
• Molar Refractivity: 37.438 cm^3
• Polarizability: 13.679764 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 94°C/10mm
• Flash Point: 100 °C; 212 °F; 80°C
• Density: 1.172; 1.172 g/mL at 25 °C
• Refractive Index: 1.5300; 1.5335; n20/D 1.531

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: Toxic (T)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 24/25-33-36/38; 24/25-36/37/38
• Safety Statements: 26-28-36/37-45; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H335; H301-H311-H315-H319-H373
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P312; P280H-P305+P351+P338-P302+P352-P309-P310

Product Information

• Purity: 95+%; 97%; 98%
• Linear Formula: FC6H3(OCH3)NH2

DETAILS

Sigma Aldrich - 731080

Packaging
1 g in glass bottle