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| CAS No.: | 101463-69-8 |
|---|---|
| Name: | Flufenoxuron |
| Molecular Structure: | |
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| Formula: | C21H11ClF6N2O3 |
| Molecular Weight: | 488.773 |
| Synonyms: | benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-;Cascade;N-({4-[2-Chlor-4-(trifluormethyl)phenoxy]-2-fluorphenyl}carbamoyl)-2,6-difluorbenzamid;N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide; |
| EINECS: | 417-680-3 |
| Density: | 1.53 g/cm3 |
| Melting Point: | 169-172° (dec) |
| Solubility: | 4 x l0-6 mg l-1(25 °C) |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20 |
| Safety: | 22 |
| Transport Information: | UN 3077 |
| PSA: | 67.43000 |
| LogP: | 6.99420 |
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Specification
The Flufenoxuron, with the CAS registry number 101463-69-8 and EINECS registry number 417-680-3, has the systemtic name of N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide. And the molecular formula of this chemical is C21H11ClF6N2O3. It is harmful if swallowed, and you should not breathe dust while dealing with this chemical. In addition, it should be stored at 0-6°C.
The physical properties of Flufenoxuron are as following: (1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.6; (4)ACD/LogD (pH 7.4): 5.42; (5)ACD/BCF (pH 5.5): 10585.67; (6)ACD/BCF (pH 7.4): 6976.1; (7)ACD/KOC (pH 5.5): 26403.49; (8)ACD/KOC (pH 7.4): 17400.26; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 105.38 cm3; (15)Molar Volume: 319.4 cm3; (16)Polarizability: 41.77×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.53 g/cm3.
Preparation of Flufenoxuron: It is can be prepared by 2,6-difluoro benzoyl isocyanate and 4,4-(4-trifluoromethyl-2-dichlorophenoxy)-2- fluoroaniline. And 2,6-difluoro benzoyl isocyanate can be obtained by 2,6-difluorobenzamide and oxalyl chloride with the solvent dichloromethane. 4,4-(4-trifluoromethyl-2-dichlorophenoxy)-2- fluoroaniline can be obtained by 2-fluoro-4-hydroxyaniline and 3,4-dichloro benzotrifluoride in DMSO in the presence of KOH.
Uses of Flufenoxuron: It is Benzoylurea insect growth regulator, and belongs to the shell polysaccharide enzyme inhibitor. It can control mites and insects for citrus, soybeans, fruit trees, cotton, vegetables, corn and other crops.
You should be cautious while dealing with this chemical. Itis harmful in contact with skin, and may cause harm to the unborn child. Therefore, you had better take the following instructions: Avoid exposure - obtain special instruction before use, and In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cc(ccc3Oc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)c(F)c2)C(F)(F)F
(2)InChI: InChI=1/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)
(3)InChIKey: RYLHNOVXKPXDIP-UHFFFAOYAH
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 3gm/kg (3000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C63, 1991. | |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C63, 1991. |