2,6-Dichloro-4-nitroaniline

Synonyms: Dichloran, "Botran", "Allisan", "DCNA", "Ditranil", "Resisan", "Bortran", "Batran", "DCNA (fungicide)", "Benzenamine, 2,6-dichloro-4-nitro-", "CDNA", "2,6-Dichloro-4-nitrobenzenamine", "Dichloran (amine fungicide)", "4-Nitro-2,6-dichloroaniline", "Dicloran [BSI]", "Botran 45W", "AL-50", "2,6-Dichlor-4-nitroanilin"

Source: Dichloran is an anti-fungal agent.

Identifiers:

IUPAC Name: 2,6-dichloro-4-nitroaniline
CAS Number: 99-30-9
PubChem ID: 7430
InChiKey: BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₆H₄Cl₂N₂O₂
Molecular Weight: 207,010

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 12

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Evidence Supporting This Chemical as an Emerging Contaminant

Meffe, R., & de Bustamante, I. (2014). Emerging organic contaminants in surface water and groundwater: a first overview of the situation in Italy. Science of the Total Environment, 481, 280-295.

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