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Trifloxysulfuron Sodium Salt

CAT: 0572-TRC-T779000-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T779000-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
199119-58-9
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[Na+].COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2OCC(F)(F)F)n1
Molecular Formula
C14 H13 F3 N5 O6 S . Na
Molecular Weight
459.33
InChI
InChI=1S/C14H14F3N5O6S.Na/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);/q;+1/p-1
Additionnal Information
IUPAC name: sodium;(4,6-dimethoxypyrimidin-2-yl)carbamoyl-[3-(2,2,2-trifluoroethoxy)pyridin-2-yl]sulfonylazanide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Trifloxysulfuron-sodium

Trifloxysulfuron-sodium is a sulfonylurea class herbicide that functions as an ALS inhibitor. It is a systemic herbicide that moves throughout the plant tissue and prevents plants from producing an essential enzyme, acetolactate synthase (ALS or AHAS), which is not found in animals. This enzyme is key for the biosynthesis of branched chain amino acids. Susceptible plants will stop growing soon after treatment, but plant death and decomposition will occur over several weeks. It is used for the control of broadleaf weeds found on lawns and turf such as clover, dandelions and carpetweed,

CAS Number199119-58-9
PubChem CID23676736
IUPAC Namesodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonyl]azanide
Molecular FormulaC14H13F3N5NaO6S
Molecular Weight459.34
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity641
SMILES
COC1=CC(=NC(=N1)NC(=O)[N-]S(=O)(=O)C2=C(C=CC=N2)OCC(F)(F)F)OC.[Na+]
InChI
InChI=1S/C14H14F3N5O6S.Na/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);/q;+1/p-1
InChIKey
UFEIWEXHHOXPGP-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Trifloxysulfuron-sodium
CAS: 199119-58-9
CID: 23676736
Formula: C14H13F3N5NaO6S
MW: 459.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass459.04363309
Monoisotopic Mass459.04363309
Topological Polar Surface Area139 Ų
Heavy Atom Count30
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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