2-(2-chlorophenyl)benzaldehyde

• ChemBase ID: 51730
• Molecular Formular: C13H9ClO
• Molecular Mass: 216.66296
• Monoisotopic Mass: 216.03419259
• SMILES: c1(c2c(C=O)cccc2)c(Cl)cccc1
• Canonical SMILES: O=Cc1ccccc1c1ccccc1Cl
• InChI: InChI=1S/C13H9ClO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-9H
• InChIKey: VNKJIEIGSAHDGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)benzaldehyde
• IUPAC Traditional name: 2-(2-chlorophenyl)benzaldehyde
• Synonyms: 2-(2-Chlorophenyl)benzaldehyde; 2'-Chloro-2-formylbiphenyl; 2'-Chloro-[1,1'-biphenyl]-2-carboxaldehyde; 2'-Chloro[1,1'-biphenyl]-2-carbaldehyde

Database IDs

• CAS Number: 223575-76-6
• MDL Number: MFCD04039056
• PubChem SID: 162056493
• PubChem CID: 1392375

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9370182
• LogD (pH = 7.4): 3.9370182
• Log P: 3.9370182
• Molar Refractivity: 62.583 cm^3
• Polarizability: 25.075636 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57 °C

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%