5-phenylfuran-2-carbonyl chloride

• ChemBase ID: 297483
• Molecular Formular: C11H7ClO2
• Molecular Mass: 206.62508
• Monoisotopic Mass: 206.01345714
• SMILES: c1ccc(cc1)c1ccc(o1)C(=O)Cl
• Canonical SMILES: ClC(=O)c1ccc(o1)c1ccccc1
• InChI: InChI=1S/C11H7ClO2/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: YUCYPPIIPWVJMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenylfuran-2-carbonyl chloride
• IUPAC Traditional name: 5-phenylfuran-2-carbonyl chloride
• Synonyms: 5-Phenylfuran-2-carbonyl chloride; 5-Phenyl-2-furoyl chloride; 5-苯基-2-糠酰氯

Database IDs

• CAS Number: 57489-93-7
• MDL Number: MFCD02258033
• PubChem SID: 180683014
• PubChem CID: 2772079

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.7916315
• Log P: 2.7916315
• Molar Refractivity: 54.5773 cm^3
• Polarizability: 21.896374 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7916315

PROPERTIES

Safety Information

• 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