2-fluoro-6-phenoxybenzaldehyde

• ChemBase ID: 297640
• Molecular Formular: C13H9FO2
• Molecular Mass: 216.2077632
• Monoisotopic Mass: 216.05865775
• SMILES: c1ccc(cc1)Oc1cccc(c1C=O)F
• Canonical SMILES: O=Cc1c(cccc1F)Oc1ccccc1
• InChI: InChI=1S/C13H9FO2/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-9H
• InChIKey: AUPPVEMCDSSXCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-phenoxybenzaldehyde
• IUPAC Traditional name: 2-fluoro-6-phenoxybenzaldehyde
• Synonyms: 2-Fluoro-6-phenoxybenzaldehyde; 2-氟-6-苯氧基苯甲醛

Database IDs

• CAS Number: 902836-68-4
• MDL Number: MFCD03428585
• PubChem SID: 180683171
• PubChem CID: 24721181

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3287373
• LogD (pH = 7.4): 3.3287373
• Log P: 3.3287373
• Molar Refractivity: 59.0992 cm^3
• Polarizability: 22.209124 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-39°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%