-
Name
Fluoroglycofen-ethyl
- EINECS
- CAS No. 77501-90-7
- Article Data2
- CAS DataBase
- Density 1.452 g/cm3
- Solubility 604ug/L(temperature not stated)
- Melting Point 65oC
- Formula C18H13ClF3NO7
- Boiling Point 487.7 °C at 760 mmHg
- Molecular Weight 447.752
- Flash Point 248.8 °C
- Transport Information
- Appearance brown solid
- Safety 61
- Risk Codes 22-52/53
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms Compete;RH 0265;Simtar;
- PSA 107.65000
- LogP 5.30240
Fluoroglycofen-ethyl Specification
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. |
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