5-(3-chlorophenyl)furan-2-carbonyl chloride

• ChemBase ID: 124430
• Molecular Formular: C11H6Cl2O2
• Molecular Mass: 241.07014
• Monoisotopic Mass: 239.97448479
• SMILES: o1c(C(=O)Cl)ccc1c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)c1ccc(o1)C(=O)Cl
• InChI: InChI=1S/C11H6Cl2O2/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H
• InChIKey: DBONYOXUBWINEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-chlorophenyl)furan-2-carbonyl chloride
• IUPAC Traditional name: 5-(3-chlorophenyl)furan-2-carbonyl chloride
• Synonyms: 5-(3-Chlorophenyl)-2-furoyl chloride; 5-(3-chlorophenyl)furan-2-carbonyl chloride; 5-(3-氯苯基)呋喃-2-甲酰氯

Database IDs

• CAS Number: 92973-26-7
• MDL Number: MFCD02258034
• PubChem SID: 162218783
• PubChem CID: 3854521

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3956761
• LogD (pH = 7.4): 3.3956761
• Log P: 3.3956761
• Molar Refractivity: 59.3821 cm^3
• Polarizability: 23.78126 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

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