Flucetosulfuron
Basic information
- CAS
412928-75-7- Standard SMILES
COCC(=O)OC(c1ncccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1)C(C)F- InChIKey
FICWGWVVIRLNRB-UHFFFAOYSA-N- Molecular formula
- C18H22FN5O8S
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.11731188
Overview
Flucetosulfuron is a member of pyridines and a sulfonamide.
Names & identifiers
- Preferred name
- Flucetosulfuron
- IUPAC
- [1-[3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-pyridinyl]-2-fluoropropyl] 2-methoxyacetate
- English name
- Flucetosulfuron
- Molecular formula
- C18H22FN5O8S
- Molecular weight
- 487.46
Names & synonyms
Flucetosulfuron412928-75-79A9M9J02PXLGC-42153DTXSID2058095Acetic acid, methoxy-, 1-(3-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-2-pyridinyl)-2-fluoropropyl esterRefChem:140805DTXCID8031863[1-[3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridin-2-yl]-2-fluoropropyl] 2-methoxyacetateFlucetosulfuron [ISO]Flucetosulfuron [ISO:BSI]UNII-9A9M9J02PX
Show more names
LGC42153Flucetosulfuron (Standard)Flucetosulfuron (mixture of isomers)Flucetosulfuron@100 μg/mL in AcetonitrileFlucetosulfuron@1000 μg/mL in AcetonitrileFlucetosulfuron Standard (mixture of isomers)Flucetosulfuron (mixture of isomers) in Acetonitrile
LGC 42153SCHEMBL118237orb1705459orb3025540SCHEMBL15427726CHEBI:81740MSK22680AKOS040744676
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 743
Physicochemical properties
- Melting point
- 178 · 178–182°C
- Density
- 1.417 · 1.417±0.06 g/cm3(Predicted)
- vapor pressure
- 1.86 · <1.86 × 10-5
- solubility
- Solubility in organic solvents (g/l at 20 °C) Acetone 22.9 Ethyl acetate 11.7 Dichloromethane 113.0 Dimethylformamide 265.0 Dimethylsulfoxide 211.7 n‐Hexane 0.006 Methanol 3.8
- pka
- Dissociation constant (pKa at 20 °C) 3.5
- Water Solubility
- Solubility in water (g/l at 25 °C) 0.114 (pH 7)
- FDA UNII
- 9 A9M9J02PX · 9A9M9J02PX
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
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesRepr. 2 (100%)
Chemistry & industry
Applications
UsesFlucetosulfuron is a sulfonylurea herbicide used for rice.
Additional notes
DefinitionChEBI: Flucetosulfuron is a member of pyridines and a sulfonamide.
Suppliers
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Related reactions
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Compound notes
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