Basic Info

Common NameFlucarbazone-Sodium(F05839)
2D Structure
FRCD IDF05839
CAS Number181274-17-9
PubChem CID12056760
FormulaC12H10F3N4NaO6S
IUPAC Name

sodium;(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonylazanide

InChI Key

UOUXAYAIONPXDH-UHFFFAOYSA-M

InChI

InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1

Canonical SMILES

CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+]

Isomeric SMILES

CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+]

Synonyms
        
            UNII-76VQM4L12C
        
            Flucarbazone-sodium
        
            181274-17-9
        
            BAY-MKH 6562
        
            FLUCARBAZONE-NA
        
            MKH 6562
        
            CHEBI:82010
        
            Flucarbazone-sodium [ISO:BSI]
        
            SJO 0498
        
            76VQM4L12C
        
Classifies
                

                  
                    Pesticide
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree NodesNot available
Direct ParentBenzenesulfonamides
Alternative Parents
Molecular FrameworkAromatic heteromonocyclic compounds
SubstituentsBenzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Sulfonylurea - Azole - 1,2,4-triazole - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Triazoline - Trihalomethane - Organoheterocyclic compound - Organic alkali metal salt - Organic metal halide - Azacycle - Ether - Organic nitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.

Properties

Property NameProperty Value
Molecular Weight418.279
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Complexity711
Monoisotopic Mass418.017
Exact Mass418.017
Formal Charge0
Heavy Atom Count27
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
EggsCanada0.01mg/kg
Liver Of CattleCanada0.05mg/kg
Liver Of GoatsCanada0.05mg/kg
Liver Of HogsCanada0.05mg/kg
Liver Of HorsesCanada0.05mg/kg
Liver Of SheepCanada0.05mg/kg
Meat Byproducts (Except Liver) Of CattleCanada0.01mg/kg
Meat Byproducts (Except Liver) Of GoatsCanada0.01mg/kg
Meat Byproducts (Except Liver) Of HogsCanada0.01mg/kg
Meat Byproducts (Except Liver) Of HorsesCanada0.01mg/kg
Meat Byproducts (Except Liver) Of SheepCanada0.01mg/kg
Meat Byproducts Of PoultryCanada0.01mg/kg
Meat Of CattleCanada0.01mg/kg
Meat Of GoatsCanada0.01mg/kg
Meat Of HogsCanada0.01mg/kg
Meat Of HorsesCanada0.01mg/kg
Meat Of PoultryCanada0.01mg/kg
Meat Of SheepCanada0.01mg/kg
MilkCanada0.0025mg/kg
WheatCanada0.01mg/kg