Fluroxypyr-meptyl
Basic information
- CAS
81406-37-3- Standard SMILES
CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl- InChIKey
OLZQTUCTGLHFTQ-UHFFFAOYSA-N- Molecular formula
- C15H21Cl2FN2O3
- Average molar mass
- 367.2 g/mol
- Monoisotopic mass
- 366.0913261
Overview
Fluroxypyr-meptyl is an esterified form of the herbicide fluroxypyr (it is a pro-herbicide, similar to a pro-drug). After predominantly foliar uptake, the ester is hydrolyzed to the parent acid, which is the herbicidally active form. Fluroxypyr is a pyridine-based herbicide used to control established broadleaf weeds and woody brush. It is registered for use on corn, wheat, barley, oats, sorghum, forage, hay, onions, fallow cropland, industrial sites, and rights-of-way, as well as home lawns and recreational sites such as golf courses, parks, and sports fields
Names & identifiers
- Preferred name
- Fluroxypyr-meptyl
- IUPAC
- octan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
- English name
- Starane
- Molecular formula
- C15H21Cl2FN2O3
- Molecular weight
- 367.24
Names & synonyms
Fluroxypyr-meptyl81406-37-3Fluroxypyr 1-methylheptyl esterStarane 2Starane 250Fluroxypyr meptylDowco 433Fluroxypyr-meptyl [ISO]Fluroxypyr-(1-methylheptyl)DTXSID5034303Fluroxypyr methylheptyl esterEINECS 279-752-9
Show more names
Fluroxypr-1-methylheptyl esterstaranexrm5084dowco433starane2501-Methylheptyl ester
WIDEMATCH SFluroxypyr methyl heptyl9W47M4YJ3Qoctan-2-yl 2-((4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy)acetateDOWCO-433Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl esterDTXCID30143031-Methylheptyl ((4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy)acetate
Database identifiers
- CAS
81406-37-3- PubChem CID
- 54745
- DTXSID
DTXSID5034303- ChEMBL
CHEMBL1882270- UNII
- 9W47M4YJ3Q
- EC Number
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Experimental & physicochemical properties
PesticidesPesticide (Fluroxypyr-meptyl) -> USDA PDB
LogP3.9
Collision Cross Section194.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5034303]
Physicochemical properties
- Melting point
- 59 °C · 59 °C
- Boiling point
- 431.9 · 431.9±40.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- soluble in Methanol
- form
- Solid
- pka
- -1.55 · -1.55±0.10(Predicted)
- color
- White to Light yellow
- Merck
- 13 · 13,4229
- Henry's Law Constant
- 3.7 · 3.7×101 mol/(m3Pa) at 25℃, Maniere et al. (2011)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H400 (99.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Commission Regulation (EC) No 737/2007
Fluroxypyr-meptyl: HSNO Approval: HSR003433 Approved with controls
Hazard Classes and Categories
Aquatic Acute 1 (99.6%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- rtecs
- AF2503000
- ridadr
- UN 3077
- hs_code
- 2933399990
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
Chemistry & industry
Applications
UsesHerbicide.
General DescriptionFluroxypyr-1-methylheptyl ester is a selective post-emergent and systemic herbicide.
Suppliers
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Related reactions
1 records
Compound notes
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