Basic Info

Common NameAclonifen(F06245)
2D Structure
FRCD IDF06245
CAS Number74070-46-5
PubChem CID92389
FormulaC12H9ClN2O3
IUPAC Name

2-chloro-6-nitro-3-phenoxyaniline

InChI Key

DDBMQDADIHOWIC-UHFFFAOYSA-N

InChI

InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2

Canonical SMILES

C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl

Synonyms
        
            2-Chloro-6-nitro-3-phenoxyaniline
        
            Aclonifen
        
            74070-46-5
        
            Bandur
        
            Challenge
        
            Benzenamine, 2-chloro-6-nitro-3-phenoxy-
        
            Aclonifen [BSI:ISO]
        
            CME 127
        
            2-Chloro-6-nitro-3-phenoxybenzenamine
        
            UNII-1762RDA835
        
Classifies
                

                  
                    Pesticide
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree NodesNot available
Direct ParentDiphenylethers
Alternative Parents
Molecular FrameworkAromatic homomonocyclic compounds
SubstituentsDiphenylether - Diaryl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Primary amine - Organic zwitterion - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.

Properties

Property NameProperty Value
Molecular Weight264.665
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Complexity292
Monoisotopic Mass264.03
Exact Mass264.03
XLogP3.8
Formal Charge0
Heavy Atom Count18
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
FRUITS, FRESH or FROZEN; TREE NUTS0100000European Union0.01*07/05/2017
Citrus fruits0110000European Union0.01*07/05/2017
Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,)0110010European Union0.01*07/05/2017
Lupins/lupini beans0300040European Union0.01*07/05/2017
Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,)0110020European Union0.01*07/05/2017
Lemons (Buddha's hands/Buddha's fingers, Citrons,)0110030European Union0.01*07/05/2017
Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,)0110040European Union0.01*07/05/2017
Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,)0110050European Union0.01*07/05/2017
Others (2)0110990European Union0.01*07/05/2017
Tree nuts0120000European Union0.01*07/05/2017
Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,)0120010European Union0.01*07/05/2017
Brazil nuts0120020European Union0.01*07/05/2017
Cashew nuts0120030European Union0.01*07/05/2017
Chestnuts0120040European Union0.01*07/05/2017
Coconuts (Areca nuts/betel nuts,)0120050European Union0.01*07/05/2017
Hazelnuts/cobnuts (Acorns, Filberts,)0120060European Union0.01*07/05/2017
Macadamias0120070European Union0.01*07/05/2017
Pecans (Hickory nuts,)0120080European Union0.01*07/05/2017
Pistachios0120100European Union0.01*07/05/2017
Walnuts0120110European Union0.01*07/05/2017