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CAS No. 100646-51-3 Density 1.301 g/cm3
PSA 70.54000 LogP 4.40590
Solubility soluble in acetone, xylene, ethanol, hexane, in water solubility is 0.3 mg/L at 25 °C Melting Point 76-77 °C
Formula C19H17ClN2O4 Boiling Point 503.9 °C at 760 mmHg
Molecular Weight 372.80 Flash Point 258.6 °C
Transport Information UN 3077 9/PG 3 Appearance White powder crystal
Safety 36/37 Risk Codes 21/22
Molecular Structure Molecular Structure of 100646-51-3 (Quizalofop-p-ethyl) Hazard Symbols HarmfulXn

Ethyl (R)-2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)propanoate;Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, ethyl ester, (R)-;Ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate;NCI-861094;DPX-Y6202-31;QPE;Propanoic acid,2-[4-[(6-chloro-2-quinoxalinyl) oxy]phenoxy]-,ethyl ester,(2R)-;Assure II;quizalofop P-Ethyl;Quizalofop-p-ethyl 95%TC;

Article Data 14

Quizalofop-p-ethyl Specification

The Quizalofop-p-ethyl, with the CAS registry number 100646-51-3, is also known as Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, ethyl ester, (R)-. It belongs to the product categories of Insecticide; Aromatics; Chiral Reagents; Heterocycles. This chemical's molecular formula is C19H17ClN2O4 and molecular weight is 372.80. What's more, its systematic name is ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate. Its classification codes are: (1)Agricultural Chemical; (2)Herbicide. It is one kind of herbicides which is commonly used for soybeans, peanuts, cotton, potatoes, green beans, watermelon, canola and so on.

Physical properties of Quizalofop-p-ethyl are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 356.87; (6)ACD/BCF (pH 7.4): 356.87; (7)ACD/KOC (pH 5.5): 2337.17; (8)ACD/KOC (pH 7.4): 2337.17; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 70.54 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 98.56 cm3; (15)Molar Volume: 286.4 cm3; (16)Polarizability: 39.07×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.301 g/cm3; (19)Flash Point: 258.6 °C; (20)Enthalpy of Vaporization: 77.33 kJ/mol; (21)Boiling Point: 503.9 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 2, 6-dichloroquinoxaline and α-hydroxyphenoxy ethyl propionate in the presence of potash. It needs backflow in acetonitrile solution for 24 hours.

When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and if swallowed. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@H](Oc3ccc(Oc1nc2ccc(Cl)cc2nc1)cc3)C
(2)Std. InChI: InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1182mg/kg (1182mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C260, 1991.

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