3-fluoro-4-methoxyaniline

• ChemBase ID: 11767
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: c1c(c(cc(c1)N)F)OC
• Canonical SMILES: COc1ccc(cc1F)N
• InChI: InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
• InChIKey: LJWAPDSCYTZUJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-methoxyaniline
• IUPAC Traditional name: 3-fluoro-4-methoxyaniline
• Synonyms: 3-Fluoro-4-anisidine; 4-Amino-2-fluoroanisole; 3-Fluoro-4-methoxyaniline; 3-Fluoro-4-anisidine; 3-Fluoro-4-methoxyaniline; 3-Fluoro-p-anisidine; 3-Fluoro-p-anisidine; 3-Fluoro-4-methoxyaniline; 4-氨基-2-氟苯甲醚; 3-氟-4-甲氧基苯胺

Database IDs

• CAS Number: 22510-10-7; 366-99-4
• EC Number: 000-000-0
• MDL Number: MFCD00075040
• Beilstein Number: 2717083
• PubChem SID: 160975074; 24860264
• PubChem CID: 581110

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1161885
• LogD (pH = 7.4): 1.1291823
• Log P: 1.1293505
• Molar Refractivity: 37.438 cm^3
• Polarizability: 13.677724 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C; 80-84°C; 81-83 °C(lit.); 81-83°C
• Boiling Point: 135 °C/18 mmHg(lit.); 135°C/18mm; 135°C/18mm
• Flash Point: >110°C(230°F)
• Hydrophobicity(logP): 1.159

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33-36/37/38; 20/21/22-36/37/38
• Safety Statements: 26-37/39; 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H331-H302-H312-H315-H319-H335-H373
• GHS Precautionary statements: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 334871

Packaging
1, 5 g in glass bottle