Florasulam - analytical standard, ≥99.8% , CAS No.145701-23-1

CAS: 145701-23-1 Cat. No.: F118352 Formula: C₁₂H₈F₃N₅O₃S Molecular Weight: 359.28 EC Number: 604-488-1

GRADE & PURITY Analytical standard, ≥99.8%

Synonyms

N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|(1,2,4)TRIAZOLO(1,5-C)PYRIMIDINE-2-SULFONAMIDE, N-(2,6-DIFLUOROPHENYL)-8-FLUORO-5-METHOXY-|Florasulam [ISO]|N-(2,6-DIFLUOROPHENYL)-8-FLUORO-5-METHOXY(1,2,4)TRIAZOLO(1,5-C)PYRIMIDINE-2-SULFONAMIDE|FLORASULAM [MI]|[1,2,4]Triazolo[1,5-c]pyrimidine-2- sulfonamide, N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-|N-(2,6-difluorophenyl)-5-methoxy-8-fluoro-(1,2,4)-triazolo-(1,5c)-pyrimidine-2-sulfonamide|3,5-DINITROBENZOIC ACID HYDRAZIDE|Kantor|NIKOS|Florasulam|Primus|2',6',8-TRIFLUORO-5-METHOXY(1,2,4)TRIAZOLO(1,5-C)PYRIMIDINE-2-SULFONANILIDE|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-|Kantor; Primus; Primus SC|N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide | (1,2,4)TRIAZOLO(1,5-C)PYRIMIDINE-2-SULFONAMIDE, N-(2,6-DIFLUOROPHENYL)-8-FLUORO-5-METHOXY- | Florasulam [ISO] | N-(2,6-DIFLUOROPHENYL)-8-FLUORO-5-METHOXY(1,2,4)TRIAZOLO(1,5-C)PYRIMIDINE-2-SULFONAMIDE | FLORASULAM [MI] | [1,2,4]Triazolo[1,5-c]pyrimidi Show more

Specifications & Purity

analytical standard, ≥99.8%

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99.8%

Names and Identifiers

Pubchem Sid

528770491

Canonical Smiles

COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F

IUPAC Name

N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

InChIKey

QZXATCCPQKOEIH-UHFFFAOYSA-N

INCHI

1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3

Isomeric SMILES

COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F

Molecular Weight

359.28

Reaxy-Rn

8932372

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8932372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Triazolopyrimidines Halopyrimidines Fluorobenzenes Alkyl aryl ethers Organosulfonamides Aryl fluorides Triazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfanilide - Triazolopyrimidine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl fluoride - Aryl halide - Pyrimidine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Triazole - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• External Descriptors: Anilide 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

Chemical and Physical Properties

• Molecular Weight: 359.290 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 359.03 Da
• Monoisotopic Mass: 359.03 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 541.000
• 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