CAS No.86479-06-3,Hexaflumuron Suppliers

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Basic Information

Molecular Structure:
CAS No.:	86479-06-3
Name:	Hexaflumuron
Article Data:	9

Formula:	C₁₆H₈Cl₂F₆N₂O₃
Molecular Weight:	461.148
Synonyms:	AI3-29832;Consult;Consult 100EC;Cosult;Hexaflumuron;Hexafluron;OMS 3031;Sonet;XRD 473;N-(((3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)amino)carbonyl)-2,6-difluorobenzamide;
Density:	1.613 g/cm³
Melting Point:	202-205oC
Solubility:	2.7 x l0-22 mg l-1 (18 °C)
Appearance:	solid
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	60-61
Transport Information:	UN 3077
PSA:	67.43000
LogP:	5.93410

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Specification

The CAS register number of Hexaflumuron is 86479-06-3. It also can be called as Benzamide,N-[[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]amino]carbonyl]-2,6-difluoro- and the IUPAC name about this chemical is N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide. The molecular formula about this chemical is C₁₆H₈Cl₂F₆N₂O₃and the molecular weight is 461.15. It belongs to the Insecticide. This chemical is a high activity and specificity of a broad spectrum insecticide insecticide used for prevention and control a variety of Lepidoptera pests in vegetables, cotton, fruit trees, trees and other crops. It has a good effect to kill insects which is resistant to organic phosphorus, carbamate, pyrethroid, but toxic to the silkworm, fish class.

Physical properties about Hexaflumuron are: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.78; (5)ACD/BCF (pH 5.5): 17020.48; (6)ACD/BCF (pH 7.4): 13689.45; (7)ACD/KOC (pH 5.5): 37130.62; (8)ACD/KOC (pH 7.4): 29863.88; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.85Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 90.75 cm³; (15)Molar Volume: 285.7 cm³; (16)Polarizability: 35.97x10^-24cm³; (17)Surface Tension: 43.1 dyne/cm.

3,5-dichloro-4-aniline (1,1,2,2-tetrafluoroethoxy) reacts with phosgene (or oxalyl chloride) can turn amino into isocyanate to produce 3,5- dichloro-4-phenyl isocyanate (1,1,2,2-tetrafluoroethoxy) and then react with 2,6-difluorobenzamide to produce hexaflumuron.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, please avoid release to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1OC(F)(F)C(F)F)NC(=O)NC(=O)c2c(F)cccc2F
(2)InChI: InChI=1/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
(3)InChIKey: RGNPBRKPHBKNKX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
(5)Std. InChIKey: RGNPBRKPHBKNKX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
duck	LD50	oral	> 2gm/kg (2000mg/kg)	Pesticide Manual. Vol. 9, Pg. 471, 1991.
rat	LC50	inhalation	> 2500mg/m3/4H (2500mg/m³)	Pesticide Manual. Vol. 9, Pg. 471, 1991.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 471, 1991.
rat	LD50	skin	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 471, 1991.