5-(2,5-dichlorophenyl)furan-2-carbonyl chloride

• ChemBase ID: 297488
• Molecular Formular: C11H5Cl3O2
• Molecular Mass: 275.5152
• Monoisotopic Mass: 273.93551244
• SMILES: c1cc(c(cc1Cl)c1ccc(o1)C(=O)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)c1ccc(o1)C(=O)Cl)Cl
• InChI: InChI=1S/C11H5Cl3O2/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H
• InChIKey: BSRRSYCAENNRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,5-dichlorophenyl)furan-2-carbonyl chloride
• IUPAC Traditional name: 5-(2,5-dichlorophenyl)furan-2-carbonyl chloride
• Synonyms: 5-(2,5-Dichlorophenyl)furan-2-carbonyl chloride; 5-(2,5-二氯苯基)呋喃-2-甲酰氯

Database IDs

• MDL Number: MFCD02258039
• PubChem SID: 180683019
• PubChem CID: 2771971

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9997208
• LogD (pH = 7.4): 3.9997208
• Log P: 3.9997208
• Molar Refractivity: 64.1869 cm^3
• Polarizability: 25.711243 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: 99%