2-[(2-Chlorophenyl)amino]-benzaldehyde

Synonyms: "2-((2-Chlorophenyl)amino)benzaldehyde", "2-[(2-CHLOROPHENYL)AMINO]-BENZALDEHYDE", "2-(2-Chloroanilino)benzaldehyde"

Source: 2-[(2-Chlorophenyl)amino]-benzaldehyde is a degradation product of diclofenac.

Identifiers:

IUPAC Name: 2-(2-chloroanilino)benzaldehyde
CAS Number: 71758-44-6
PubChem ID: 53423421
InChiKey: DAAHPDZFLSFYPJ-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C=O)NC2=CC=CC=C2Cl

Structural Properties:

Molecular Formula: C₁₃H₁₀ClNO
Molecular Weight: 231.68

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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Evidence Supporting This Chemical as an Emerging Contaminant

Cesen, M., Heath, D., Krivec, M., Kosmrlj, J., Kosjek, T., & Heath, E. (2018). Seasonal and spatial variations in the occurrence, mass loadings and removal of compounds of emerging concern in the Slovene aqueous environment and environmental risk assessment. Environmental pollution, 242, 143-154.

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