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Triflusulfuron-methyl - 95%, high purity , CAS No.126535-15-7

COA

Grade & Purity:

≥95%

Cas Number: 126535-15-7
Molecular Weight: 492.43
PubChem CID: 92434
PubChem SID: 504756120

In stock

Item Number

T346143

Grouped product items
SKU	Size	Availability	Price
T346143-25mg	25mg	3	$23.90
T346143-100mg	100mg	3	$73.90
T346143-500mg	500mg	3	$329.90
T346143-1g	1g	4	$592.90

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Metabolite (5307)

Basic Description

Synonyms	DPX-66037 \| Triflusulfuron methyl \| AKOS015895276 \| A805565 \| BS-42108 \| methyl 2-[({[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}amino)sulfonyl]-3-methylbenzoate \| methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Sulfonylureas

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Sulfonylureas
Intermediate Tree Nodes	Not available
Direct Parent	S-triazinyl-2-sulfonylureas
Alternative Parents	Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Alkoxy-S-triazines Benzoyl derivatives Dialkylarylamines Toluenes Alkyl aryl ethers N-aliphatic s-triazines Organosulfonic acids and derivatives Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organofluorides Carbonyl compounds Alkyl fluorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	S-triazinyl-2-sulfonylurea - Benzenesulfonamide - Benzoate ester - Benzoic acid or derivatives - Benzenesulfonyl group - Alkoxy-s-triazine - Benzoyl - Dialkylarylamine - Alkyl aryl ether - Aminotriazine - Amino-1,3,5-triazine - Toluene - N-aliphatic s-triazine - 1,3,5-triazine - Monocyclic benzene moiety - Benzenoid - Triazine - Heteroaromatic compound - Methyl ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Carbonyl group - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as s-triazinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a s-triazine ring which is substituted with a urea at the ring 2-position.
External Descriptors	Sulfonylurea herbicides
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504756120
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756120
IUPAC Name	methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
INCHI	InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
InChIKey	IMEVJVISCHQJRM-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C
Isomeric SMILES	CC1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C
PubChem CID	92434
Molecular Weight	492.43

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
C2310547	Certificate of Analysis	Feb 16, 2023	T346143
C2309713	Certificate of Analysis	Feb 16, 2023	T346143
C2309703	Certificate of Analysis	Feb 16, 2023	T346143
C2309706	Certificate of Analysis	Feb 16, 2023	T346143

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Melt Point(°C)	160-163° C
Molecular Weight	492.400 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	492.104 Da
Monoisotopic Mass	492.104 Da
Topological Polar Surface Area	161.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	793.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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