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Triasulfuron

CAT: 1459-CS-EE-00061Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-EE-00061Size:1 Each
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Description
Triasulfuron is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-EE-00061. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
82097-50-5
Synonyms
Triasulfuron
Molecular Formula
C 14 H 16 ClN 5 O 5 S
Molecular Weight
401.83
Additionnal Information
Triasulfuron is supplied with detailed characterization data compliant with regulatory guideline. Triasulfuron can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Triasulfuron

Triasulfuron is an N-sulfonylurea that is N-[o-(2-chloroethoxy)phenyl]sulfonylurea in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used to control broad-leaved weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life. It has a role as a herbicide and an agrochemical. It is an organochlorine compound, a methoxy-1,3,5-triazine and a N-sulfonylurea.

CAS Number82097-50-5
PubChem CID73282
IUPAC Name1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Molecular FormulaC14H16ClN5O5S
Molecular Weight401.8
XLogP2.3
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity560
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl
InChI
InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKey
XOPFESVZMSQIKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triasulfuron
CAS: 82097-50-5
CID: 73282
Formula: C14H16ClN5O5S
MW: 401.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.8
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass401.0560675
Monoisotopic Mass401.0560675
Topological Polar Surface Area141 Ų
Heavy Atom Count26
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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