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CAS No.: | 77501-90-7 |
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Name: | Fluoroglycofen-ethyl |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C18H13ClF3NO7 |
Molecular Weight: | 447.752 |
Synonyms: | Compete;RH 0265;Simtar; |
Density: | 1.452 g/cm3 |
Melting Point: | 65oC |
Boiling Point: | 487.7 °C at 760 mmHg |
Flash Point: | 248.8 °C |
Solubility: | 604ug/L(temperature not stated) |
Appearance: | brown solid |
Hazard Symbols: | Xn |
Risk Codes: | 22-52/53 |
Safety: | 61 |
PSA: | 107.65000 |
LogP: | 5.30240 |
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The IUPAC name of Fluoroglycofen is (2-Ethoxy-2-oxoethyl)5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate . With the CAS registry number 77501-90-7, it is also can be called as 2-Ethoxy-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)-phenoxy)-2-nitrobenzoate ; Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-ethoxy-2-oxoethyl ester ; Fluoroglycofen ethyl ester ; Fluoroglycofen-ethyl ; Super blazer . Its classification code are agricultural chemical and herbicide. Fluoroglycofen belongs to the product categories: Diphenyl etherPesticides Metabolites;Alpha sort;E-GAlphabetic;F;FA - FL;Herbicides;Pesticides Metabolites. Fluoroglycofen is brown solid. The Fluoroglycofen(CAS No.77501-90-7) is mainly used for wheat, barley, peanuts, soybeans and rice weeding.
Properties of Fluoroglycofen :(1)#H bond acceptors: 8 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 9 ; (4)Polar Surface Area: 107.65 Å2 ; (5)Index of Refraction: 1.539 ; (6)Molar Refractivity: 96.56 cm3 ; (7)Molar Volume: 308.2 cm3 ; (8)Surface Tension: 44.4 dyne/cm ; (9)Enthalpy of Vaporization: 75.37 kJ/mol ; (10)Vapour Pressure: 1.16E-09 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-];
(2)InChI: InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)1918(20,21)22/h3-8H,2,9H2,1H3 ;
(3)InChIKey: IPPAUTOBDWNELX-UHFFFAOYSA-N.
Toxicity data of Fluoroglycofen is as following:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 412, 1991. | |
rat | LD50 | oral | 1480mg/kg (1480mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C288, 1991. |