4-[(2,4-dichlorophenyl)methoxy]benzaldehyde

• ChemBase ID: 26156
• Molecular Formular: C14H10Cl2O2
• Molecular Mass: 281.134
• Monoisotopic Mass: 280.00578492
• SMILES: c1(c(COc2ccc(C=O)cc2)ccc(c1)Cl)Cl
• Canonical SMILES: O=Cc1ccc(cc1)OCc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C14H10Cl2O2/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-8H,9H2
• InChIKey: MCFMTPMHCQCPNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde
• IUPAC Traditional name: 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde
• Synonyms: 4-((2,4-dichlorobenzyl)oxy)benzaldehyde; 4-[(2,4-Dichlorobenzyl)oxy]benzaldehyde; 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde; 4-[(2,4-Dichlorobenzyl)oxy]benzenecarbaldehyde

Database IDs

• CAS Number: 70627-17-7
• MDL Number: MFCD00610864
• PubChem SID: 160989463
• PubChem CID: 735453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4606395
• LogD (pH = 7.4): 4.4606395
• Log P: 4.4606395
• Molar Refractivity: 73.3274 cm^3
• Polarizability: 28.083803 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102 - 104 °C
• Hydrophobicity(logP): 4.973

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%