Difenzoquat

Basic Info

Common NameDifenzoquat(F05887)
2D Structure
FRCD IDF05887
CAS Number49866-87-7
PubChem CID39425
FormulaC17H17N2+
IUPAC Name

1,2-dimethyl-3,5-diphenylpyrazol-1-ium

InChI Key

LBGPXIPGGRQBJW-UHFFFAOYSA-N

InChI

InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1

Canonical SMILES

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3

Synonyms
        
            1H-Pyrazolium, (1,2-dimethyl-3,5-diphenyl)-
        
            DIFENZOQUAT
        
            49866-87-7
        
            UNII-54NE792QN5
        
            Difenzoquat [ANSI:BSI:ISO]
        
            1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-
        
            EINECS 256-505-3
        
            1,2-Dimethyl-3,5-diphenylpyrazolium ion
        
            CHEBI:81910
        
            54NE792QN5
Classifies
                

                  
                    Pesticide
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassPyrazoles
Intermediate Tree NodesNot available
Direct ParentPhenylpyrazoles
Alternative Parents
Molecular FrameworkAromatic heteromonocyclic compounds
SubstituentsPhenylpyrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

Properties

Property NameProperty Value
Molecular Weight249.337
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Complexity251
Monoisotopic Mass249.139
Exact Mass249.139
XLogP4.3
Formal Charge1
Heavy Atom Count19
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
Other Terrestrial Mammals,Edible OffalJapan0.05ppm
Other NutsJapan0.05ppm
Lettuce(Including Cos Lettuce And Leaf Lettuce)Japan0.05ppm
Turnip,LeavesJapan0.05ppm
Other Poultry Animals,Edible OffalJapan0.05ppm
Chicken,Edible OffalJapan0.05ppm
Other Poultry Animals,KidneyJapan0.05ppm
Chicken,KidneyJapan0.05ppm
Other Poultry Animals,LiverJapan0.05ppm
Chicken,LiverJapan0.05ppm
Other Poultry Animals,FatJapan0.05ppm
Chicken,FatJapan0.05ppm
Other Poultry Animals,MuscleJapan0.05ppm
Chicken,MuscleJapan0.05ppm
Pig,Edible OffalJapan0.05ppm
Cattle,Edible OffalJapan0.05ppm
Other Terrestrial Mammals,KidneyJapan0.05ppm
Pig,KidneyJapan0.05ppm
Cattle,KidneyJapan0.05ppm
Other Terrestrial Mammals,LiverJapan0.05ppm