| Common Name |
Diflubenzuron
| Description |
Insecticide, interfering with chitin deposition by oral absorption. Diflubenzuron is used on soya beans, citrus, tea, vegetables and mushrooms. Also used as an insecticide in feed for politry and pigs and as a controlled release bolus in cattleDiflubenzuron belongs to the family of N-Phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of an urea group.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB31778 (Diflubenzuron)
| Synonyms |
| Value |
Source |
1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)ureaChEBI
1-(P-Chlorophenyl)-3-(2,6-difluorobenzoyl)ureaChEBI
DifluronChEBI
N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamideChEBI
N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamideChEBI
1-(P-Chlorophenyl)-3-(2,6-difluorobenzoyl)-ureaHMDB
AstonexHMDB
DimilinHMDB
Dimilin g1HMDB
Dimilin g4HMDB
Dimilin ODC-45HMDB
Dimilin wp-25HMDB
DioflubenzuronHMDB
DuphacidHMDB
LarvakilHMDB
MicromiteHMDB
N-(((4-Chlorophenyl)amino)carbonyl)-2,6-difluorobenzamideHMDB
N-(4-Chlorophenyl)-n'-(2,6-difluorobenzoyl)ureaHMDB
N-[(4-Chlorophenyl)carbamoyl]-2,6-difluorobenzamideHMDB
N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide, 9ciHMDB
N-[[(4-Chlorophenyl)amno]carbonyl]-2,6-difluorobenzamideHMDB
Philips-duphar PH 60-40HMDB
Thompson hayward 6040HMDB
Thompson-hayward 6040HMDB
Thompson-hayward TH6040HMDB
| Chemical Formlia |
C14H9ClF2N2O2
| Average Molecliar Weight |
310.683
| Monoisotopic Molecliar Weight |
310.032061659
| IUPAC Name |
1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea
| Traditional Name |
diflubenzuron
| CAS Registry Number |
35367-38-5
| SMILES |
FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1
| InChI Identifier |
InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
| InChI Key |
QQQYTWIFVNKMRW-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as n-benzoyl-n-phenylureas. These are n-acyl-phenylureas that have the acyl group substituted by a phenyl group.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Benzenoids
| Sub Class |
Benzene and substituted derivatives
| Direct Parent |
N-benzoyl-N-phenylureas
| Alternative Parents |
2-halobenzoic acids and derivatives
Benzoyl derivatives
Chlorobenzenes
Fluorobenzenes
Aryl chlorides
Aryl fluorides
Vinylogous halides
Ureas
Carboxylic acids and derivatives
Hydrocarbon derivatives
Organic oxides
Carbonyl compounds
Organochlorides
Organofluorides
Organonitrogen compounds
Organopnictogen compounds
| Substituents |
N-benzoyl-n'-phenylurea
Halobenzoic acid or derivatives
2-halobenzoic acid or derivatives
Benzoic acid or derivatives
Benzoyl
Chlorobenzene
Fluorobenzene
Halobenzene
Aryl chloride
Aryl fluoride
Aryl halide
Vinylogous halide
Urea
Carbonic acid derivative
Carboxylic acid derivative
Organic nitrogen compound
Organohalogen compound
Organochloride
Organofluoride
Organonitrogen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
monochlorobenzenes (CHEBI:34703 )
benzoylurea insecticide (CHEBI:34703 )
Pesticides (C14427 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point230 – 232 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP3.88Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.006 mg/mLALOGPS
logP3.93ALOGPS
logP3.61ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)6.3ChemAxon
pKa (Strongest Basic)-8.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area58.2 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity75.07 m3·mol-1ChemAxon
Polarizability27.85 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-0bt9-0906000000-0b7a683feaa520611476View in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-0a4i-0900000000-9df798aa7bd11cb4cabeView in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-0a4l-0900000000-628b33107aaf0a0d1125View in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-0006-0900000000-4bf354a6174bfbe77b0fView in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-0006-0900000000-580323bf304d52f2a7a0View in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QFT , positivesplash10-0a4i-0900000000-e2755cab4c400036ab0eView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| MS |
Mass Spectrum (Electron Ionization)splash10-0w2c-4900000000-f0884ff1656b3b7f2d35View in MoNA
| 1D NMR |
1H NMR SpectrumNot Available
| 1D NMR |
13C NMR SpectrumNot Available
| Biological Properties |
| Cellliar Locations |
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB008451
| KNApSAcK ID |
Not Available
| Chemspider ID |
34065
| KEGG Compound ID |
C14427
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB31778
| Metagene Link |
HMDB31778
| METLIN ID |
Not Available
| PubChem Compound |
37123
| PDB ID |
Not Available
| ChEBI ID |
34703
Product: A-966492
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 12684265