5-(4-fluorophenyl)furan-2-carbonyl chloride

• ChemBase ID: 297479
• Molecular Formular: C11H6ClFO2
• Molecular Mass: 224.6155432
• Monoisotopic Mass: 224.00403533
• SMILES: c1cc(ccc1c1ccc(o1)C(=O)Cl)F
• Canonical SMILES: Fc1ccc(cc1)c1ccc(o1)C(=O)Cl
• InChI: InChI=1S/C11H6ClFO2/c12-11(14)10-6-5-9(15-10)7-1-3-8(13)4-2-7/h1-6H
• InChIKey: LAICLIOPDMJLFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)furan-2-carbonyl chloride
• IUPAC Traditional name: 5-(4-fluorophenyl)furan-2-carbonyl chloride
• Synonyms: 5-(4-Fluorophenyl)furan-2-carbonyl chloride; 5-(4-Fluorophenyl)-2-furoyl chloride; 5-(4-氟苯基)呋喃-2-甲酰氯

Database IDs

• CAS Number: 380889-69-0
• MDL Number: MFCD02258010
• PubChem SID: 180683010
• PubChem CID: 2771969

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9343333
• LogD (pH = 7.4): 2.9343333
• Log P: 2.9343333
• Molar Refractivity: 54.7937 cm^3
• Polarizability: 21.587952 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%