Clodinafop-propargyl

Description

Clodinafop-propargyl · CAS 126301-94-8 · C17H13ClFNO4. UNII QEH394TY6Y. Melting Point: 59.5 °C; Melting Point: MP: 48.2-57.1 °C /Technical/; Solubility: In water, 2.5 ppm at 20 °C.

Identification

CAS Registry Number	126301-94-8
PubChem CID	92431
Molecular formula	C17H13ClFNO4
IUPAC name	prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
UNII (FDA)	QEH394TY6Y

Computed Descriptors

Molecular Weight	349.7
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	349.0517138
Monoisotopic Mass	349.0517138
Topological Polar Surface Area	57.7
Heavy Atom Count	24
Formal Charge	0

Physical & Chemical Properties

Melting Point	59.5 °C
Melting Point	MP: 48.2-57.1 °C /Technical/
Solubility	In water, 2.5 ppm at 20 °C
Solubility	In water, 4.0 mg/L at 25 °C
Density	1.37 g/mL at 22 °C
Vapor Pressure	0.00000002 [mmHg]
Vapor Pressure	VP: 5.3X10-6 Pa at 20 °C
Vapor Pressure	2.40X10-8 mm Hg at 25 °C
LogP	log Kow = 3.90 at 25 °C
LogP	3.9

Physical description & handling notes

• Cream-colored odorless solid; [HSDB] light beige crystalline solid; [MSDSonline]
• Colorless crystals
• Crystalline solid
• Cream powder
• Odorless
• In organic solvents at 25 °C (g/L): ethanol - 92; acetone - 880; toluene - 690; n-hexane - 0.0086; n-octanol - 25

GHS Hazard Classification

Reported hazard statements	H302, H317, H373, H400, H410

Documented Uses

• Used as oxyphenoxy acid ester herbicide for spring wheat; [Reference #1]
• Herbicide registered for use on spring wheat.
• Used for post-emergence control of annual grasses, including Avena, lolium, Setaria, Phalaris and Alopecurus spp. and in cereals ...
• Clodinafop-propargyl can be made by reaction of 2-fluoro-4-chloropyridine with propynyl 2-(4-chlorophenoxy)propionate
• /In animals,/ hydrolyzed to the corresponding acid, which is excreted in urine and feces. ... In plants, rapidly degraded to the acid derivative as major metabolite.
• Clodinafop-propargyl is extensively metabolized (<0.3% remaining as clodinafop-propargyl). The major metabolites evident in the excreta were clodinafop (CGA 193469) and its taurine conjugate. The metabolites in fat were diacylglycerides and triacylglycerides of clodinafop.

Synonyms

Clodinafop-Propargyl; 105512-06-9; Topik; Discover; DTXSID6032354; Discover Herbicide; QEH394TY6Y; CGA 184927; prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate; CGA-184927; (R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester; DTXCID4012354; CHEBI:132921; prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate; Propanoic acid, 2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)-, 2-propynyl ester, (2R)-; Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-

Frequently Asked Questions

What are the CAS number and molecular formula of Clodinafop-propargyl?

CAS 126301-94-8; molecular formula C17H13ClFNO4; molecular weight — g/mol.

What other names is Clodinafop-propargyl known by?

Clodinafop-Propargyl, 105512-06-9, Topik, Discover, DTXSID6032354, Discover Herbicide.

Is Clodinafop-propargyl classified as hazardous?

Hazard statements reported: H302, H317, H373, H400, H410.

What are the key physical properties of Clodinafop-propargyl?

Melting Point: 59.5 °C; Melting Point: MP: 48.2-57.1 °C /Technical/; Solubility: In water, 2.5 ppm at 20 °C; Solubility: In water, 4.0 mg/L at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.