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Chlorfluazuron

CAT: 0804-HY-133204-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133204-04Size:50 mg
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Description
Chlorfluazuron (IKI-7899) is a benzoylurea insecticide. Chlorfluazuron inhibts insect chitin and disrupts normal exuviation by inducing malformations, thereby preventing and controlling lepidopteran pests[1].
CAS Number
71422-67-8
Product Name Alternative
IKI-7899
UNSPSC
12352005
Hazard Statement
H319, H410
Target
Insecticide
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/chlorfluazuron.html
Purity
98.89
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(NC(NC1=CC(Cl)=C(OC2=NC=C(C(F)(F)F)C=C2Cl)C(Cl)=C1)=O)C3=C(F)C=CC=C3F
Molecular Formula
C20H9Cl3F5N3O3
Molecular Weight
540.65
Precautions
H319, H410
References & Citations
[1]Sun M, et al. Determination of the Residue Behavior and Risk Assessment of Chlorfluazuron in Chinese Cabbage, Kale, Lettuce and Cauliflower by UPLC-MS/MS. Int J Environ Res Public Health. 2019 May 17;16 (10) :1758.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Chlorfluazuron

Chlorfluazuron is a dichlorobenzene, an organochlorine insecticide, a benzoylurea insecticide and an organofluorine insecticide.

CAS Number71422-67-8
PubChem CID91708
IUPAC NameN-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2,6-difluorobenzamide
Molecular FormulaC20H9Cl3F5N3O3
Molecular Weight540.6
XLogP6.7
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity715
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F
InChI
InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)
InChIKey
UISUNVFOGSJSKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorfluazuron
CAS: 71422-67-8
CID: 91708
Formula: C20H9Cl3F5N3O3
MW: 540.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.6
XLogP36.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass538.962965
Monoisotopic Mass538.962965
Topological Polar Surface Area80.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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