2-fluoro-4-methoxyaniline

• ChemBase ID: 68786
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: Nc1c(cc(cc1)OC)F
• Canonical SMILES: COc1ccc(c(c1)F)N
• InChI: InChI=1S/C7H8FNO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
• InChIKey: YWUVOJJHVFLNJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methoxyaniline
• IUPAC Traditional name: 2-fluoro-4-methoxyaniline
• Synonyms: (2-fluoro-4-methoxyphenyl)amine; 2-Fluoro-4-methoxyaniline, JRD; 2-Fluoro-4-methoxyaniline; 2-氟-4-甲氧基苯胺, JRD

Database IDs

• CAS Number: 458-52-6
• MDL Number: MFCD00047827
• PubChem SID: 162034516
• PubChem CID: 3756383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1275802
• LogD (pH = 7.4): 1.1293283
• Log P: 1.1293505
• Molar Refractivity: 37.438 cm^3
• Polarizability: 13.678523 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-51°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Toxic (T)
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 24/25-33-36/37/38
• Safety Statements: 26-28-36/37-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H301-H311-H315-H319-H335-H373
• GHS Precautionary statements: P280H-P305+P351+P338-P302+P352-P309-P310

Product Information

• Purity: 95+%; 97%