Haloxyfop is an arylchlorooxyphenoxypropionic acid herbicide that is extensively used on weeds in broadleaf crops. The IC50 of Haloxyfop for inhibiting acetyl-CoA carboxylase (EC 6.4.1.2) in the chloroplasts of corn seedlings is 0.5 μM, but has no effect on this enzyme in peas.

Physicochemical Properties

Molecular Formula	C15H11CLF3NO4
Molecular Weight	361.70
Exact Mass	361.032
CAS #	69806-34-4
Related CAS #	69806-86-6 (hydrochloride salt)
PubChem CID	50895
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	420.3±45.0 °C at 760 mmHg
Flash Point	208.0±28.7 °C
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.536
LogP	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	24
Complexity	429
Defined Atom Stereocenter Count	0
InChi Key	GOCUAJYOYBLQRH-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)
Chemical Name	2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	IC50: 0.5 μM (acetyl coenzyme A carboxylase (EC 6.4.1.2))[2]
References	[1]. Method Development and Validation for Total Haloxyfop Analysis in Infant Formulas and Related Ingredient Matrices Using Liquid Chromatography-Tandem Mass Spectrometry. Anal Bioanal Chem. [2]. Inhibition of Plant Acetyl-Coenzyme A Carboxylase by the Herbicides Sethoxydim and Haloxyfop. Biochem Biophys Res Commun.
Additional Infomation	2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid is a monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group. It is a member of pyridines, an aromatic ether, a monocarboxylic acid, an organofluorine compound and an organochlorine compound.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (276.47 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.91 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.91 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7647 mL	13.8236 mL	27.6472 mL
	5 mM	0.5529 mL	2.7647 mL	5.5294 mL
	10 mM	0.2765 mL	1.3824 mL	2.7647 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.