Halosulfuron-methyl - analytical standard, ≥99.5% , CAS No.100784-20-1

CAS: 100784-20-1 Cat. No.: H109990 Fórmula: C₁₃H₁₅ClN₆O₇S Peso molecular: 434.81 Número CE: 600-130-3

GRAU & PUREZA Analytical standard, ≥99.5%

Synonyms

Halosulfuron methyl ,3-Chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester|1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester|Sempra|benzyl pipecolinic acid|HALOSULFURON METHYL ESTER|A 841101|Fatostatin A HBr|HALOSULFURON-METHYL [ISO]|Halosulfuron methyl|N-((4-Fluorophenyl)methyl)-1-methyl-4-piperidinamine|MON-12037|MON-12000|methyl 3-chloro-5-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-1-methyl-1H-pyrazole-4-carboxylate|Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-5,12-dimethyl-|Permit 75WG|methyl 3-chloro-5-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-1-methyl-1H-pyrazole-4-carboxylate|Sandea|Battalion|Halosulfuron-methyl, BSI|Inpool|methyl 3-chloro-5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate|1H-Pyrazole-4-carboxylic acid, 3-chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-, methyl ester|NC-319|A-841101|NC 319|3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic Acid Methyl Ester|HALOSULFURON-METHYL [MI]|MANAGE (MONSANTO)|Halosulfuron-methyl [ISO:BSI]|methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate|3-Chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester|Halosulfuron-methyl|Methyl 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate|NC 311

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Halosulfuron methyl ,3-Chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester | 1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester | Sempra | benzyl pipecolinic acid | HALOSULFURON METHYL EST Show more

Especificações e pureza

analytical standard, ≥99.5%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Padrão analítico

Pureza

≥99.5%

Nomes e identificadores

Pubchem Sid

528772706

Sorrisos canónicos

CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

IUPAC Name

methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

InChIKey

FMGZEUWROYGLAY-UHFFFAOYSA-N

INCHI

1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)

SMILES isoméricas

CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

WGK Alemanha

3

RTECS

UQ6392606

Peso molecular

434.81

Reaxy-Rn

7783327

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7783327&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Sulfonylureas Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Aryl chlorides Vinylogous halides Vinylogous amides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidic acids and derivatives Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-4-carboxylic acid or derivatives - Alkyl aryl ether - Sulfonylurea - Aryl chloride - Aryl halide - Pyrimidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Aminosulfonyl compound - Methyl ester - Vinylogous halide - Vinylogous amide - Carboxylic acid ester - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboximidic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 175-177oC
• Peso molecular: 434.810 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 434.041 Da
• Monoisotopic Mass: 434.041 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 665.000
• 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