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Lactofen

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Name

Lactofen

EINECS N/A
CAS No. 77501-63-4 Density 1.42 g/cm3
PSA 107.65000 LogP 5.69090
Solubility insoluble in water Melting Point 43.9 - 45.5 degreesoC
Formula C19H15ClF3NO7 Boiling Point 494 °C at 760 mmHg
Molecular Weight 461.779 Flash Point 252.6 °C
Transport Information UN 3077 9/PG 3 Appearance Dark brown to tan solid
Safety 36/37-61 Risk Codes 21-51/53
Molecular Structure Molecular Structure of 77501-63-4 (Lactofen) Hazard Symbols Xn,N
Synonyms

Cobra;Cobra (herbicide);PPG 844;Phoenix;Phoenix (herbicide);1-Ethoxy-1-oxo-2-propanyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate;2-ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate;

Article Data 2

Lactofen Specification

The Lactofen, with the CAS registry number 77501-63-4, has the systematic name of 1-ethoxy-1-oxopropan-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate. And the molecular formula of this chemical is C19H15ClF3NO7. It is a complex ester of acifluorfen with the appearance of dark brown to tan solid, and it is available in solid form or as an emulsifiable concentrate under the trade name Cobra. What's more, it should be stored at 0-6°C.

The physical properties of Lactofen are as following: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.84; (4)ACD/LogD (pH 7.4): 4.84; (5)ACD/BCF (pH 5.5): 2807.58; (6)ACD/BCF (pH 7.4): 2807.58; (7)ACD/KOC (pH 5.5): 10230.83; (8)ACD/KOC (pH 7.4): 10230.83; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 107.65 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 101.15 cm3; (15)Molar Volume: 325.1 cm3; (16)Polarizability: 40.1×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 252.6 °C; (20)Enthalpy of Vaporization: 76.12 kJ/mol; (21)Boiling Point: 494 °C at 760 mmHg; (22)Vapour Pressure: 6.71E-10 mmHg at 25°C.

Preparation of Lactofen: Mix 2-4 -trifluoromethyl phenol and potassium carbonate with the shielding gas of nitrogen. Then react with 2- nitryl - 5- fluorobenzoic acid methyl ester, and gives diphenylethers compound. After hydrolyzation, it becomes acyl chloride, and reflux with 2-ethyl lactates for 6 hours, the product is obtained.

Uses of Lactofen: It is a nitrophenyl ether selective herbicide, and used in postemergence applications to certain crops which are resistant to its action. It is applied as a foliar spray, and commonly used for the control of broadleaved weeds in soybean, cereals, potatoes and peanuts. What's more, it may be combined with oil or fertilizer adjuvants and surfactants.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2Oc1cc(C(=O)OC(C(=O)OCC)C)c([N+]([O-])=O)cc1)C(F)(F)F
(2)InChI: InChI=1/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
(3)InChIKey: CONWAEURSVPLRM-UHFFFAOYAB

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C77, 1991.
rat LD50 skin 2gm/kg (2000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C77, 1991.

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