2-Benzyl-4-chlorophenol

Synonyms: 2-Benzyl-4-chlorophenol, "120-32-1", "Clorophene", "Clorofene", "Chlorophene", "O-benzyl-p-chlorophenol", "4-Chloro-2-benzylphenol", "Septiphene", "Neosabenyl", "Benzylchlorophenol", "Bio-Clave", "Santophen 1", "Phenol, 4-chloro-2-(phenylmethyl)-", "Santophen I germicide", "5-Chloro-2-hydroxydiphenylmethane", "p-Chloro-o-benzylphenol", "Santophen I", "Santophen 1 flake", "Santophen 1 solution", "Ketolin-H", "Ketolin H", "Orthobenzylparachlorophenol", "Orthobenzyl-p-chlorophenol", "o-Benzylchlorophenol", "2-benzyl-4-chloro-phenol", "4-Chloro-2-(phenylmethyl)phenol".

Source: 2-Benzyl-4-chlorophenol is used as building block, reagent.

Identifiers:

IUPAC Name: 2-benzyl-4-chlorophenol
CAS Number: 120-32-1
PubChem ID: 8425
InChiKey: NCKMMSIFQUPKCK-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O

Structural Properties:

Molecular Formula: C₁₃H₁₁ClO
Molecular Weight: 218.68

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 15

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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