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

CAS: 126535-15-7 Cat. No.: T346143 Formula: C₁₇H₁₉F₃N₆O₆S Peso molecolare: 492.43 Numero EC: 603-146-9 PubChem CID: 92434

GRADE & PURITY ≥95%

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-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

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-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504756120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756120
• Sorrisi canonici: 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)
• Isomeri 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
• Peso molecolare: 492.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Sulfonylureas

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrizione: 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

Data sources

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di fusione (°C): 160-163° C
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 126535-15-7, the molecular formula is C17H19F3N6O6S, and the molecular weight is 492.43 g/mol. InChIKey IMEVJVISCHQJRM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.