≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756120 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756120 |
| Canonical 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 |
| IUPAC Name | methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate |
| InChIKey | IMEVJVISCHQJRM-UHFFFAOYSA-N |
| 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) |
| 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 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2310547 | Certificate of Analysis | Jan 05, 2026 | T346143 |
| C2309703 | Certificate of Analysis | Dec 10, 2025 | T346143 |
| C2309706 | Certificate of Analysis | Dec 10, 2025 | T346143 |
| C2309713 | Certificate of Analysis | Dec 10, 2025 | T346143 |
| 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 Ų |
| 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 |
