Butamifos

Basic Info

Common NameButamifos(F06206)
2D Structure
FRCD IDF06206
CAS Number36335-67-8
PubChem CID37419
FormulaC13H21N2O4PS
IUPAC Name

N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphinothioyl]butan-2-amine

InChI Key

OEYOMNZEMCPTKN-UHFFFAOYSA-N

InChI

InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)

Canonical SMILES

CCC(C)NP(=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NP(=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-]

Synonyms
        
            S 28 (pesticide)
        
            Butamifos
        
            CREMART
        
            Metacrefos
        
            Kremart
        
            Tufler
        
            36335-67-8
        
            Hercules 26905
        
            Butamiphos
        
            Butamifos [BSI:ISO]
Classifies
                

                  
                    Pesticide
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree NodesNot available
Direct ParentNitrobenzenes
Alternative Parents
Molecular FrameworkAromatic homomonocyclic compounds
SubstituentsNitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Toluene - Thiophosphoric acid ester - Organic thiophosphoric acid or derivatives - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

Properties

Property NameProperty Value
Molecular Weight332.355
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity391
Monoisotopic Mass332.096
Exact Mass332.096
XLogP4.7
Formal Charge0
Heavy Atom Count21
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
Welsh(Including Leek)Japan0.05ppm
Other HerbsJapan0.05ppm
Other SpicesJapan0.05ppm
Other FruitsJapan0.05ppm
DateJapan0.05ppm
KiwifruitJapan0.05ppm
GrapeJapan0.05ppm
Other BerriesJapan0.05ppm
HuckleberryJapan0.05ppm
CranberryJapan0.05ppm
BlueberryJapan0.05ppm
BlackberryJapan0.05ppm
RaspberryJapan0.05ppm
StrawberryJapan0.05ppm
CherryJapan0.05ppm
Mume PlumJapan0.05ppm
Japanese Plum(Including Prune)Japan0.05ppm
ApricotJapan0.05ppm
PeachJapan0.05ppm
LoquatJapan0.05ppm