Nicosulfuron - analytical standard , CAS No.111991-09-4

Name: Nicosulfuron - analytical standard , CAS No.111991-09-4
Brand: Aladdin Scientific
SKU: N110042
Availability: InStock

CAS: 111991-09-4 Cat. No.: N110042 Formula: C₁₅H₁₈N₆O₆S Molecular Weight: 410.41 EC Number: 601-148-4

17 Citations COA

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Nicosulfuron - analytical standard CAS No(111991-09-4) by Aladdin Scientific

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GRADE & PURITY Analytical standard ?

Synonyms

1-(4,6-Dimethoxy-2-pyrimidinyl)-3-[3-(dimethylcarbamoyl)-2-pyridylsulfonyl]urea|2-[N-[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl]-N,N-dimethylnicotinamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications Names and Identifiers Advanced Data Taxonomic Classification 3D Structure Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product Solution Calculators Reviews

Specifications

Synonyms

1-(4,6-Dimethoxy-2-pyrimidinyl)-3-[3-(dimethylcarbamoyl)-2-pyridylsulfonyl]urea | 2-[N-[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl]-N,N-dimethylnicotinamide

Specifications & Purity

analytical standard

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

Pubchem Sid

528773116

Canonical Smiles

CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

IUPAC Name

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

InChIKey

RTCOGUMHFFWOJV-UHFFFAOYSA-N

INCHI

1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)

Isomeric SMILES

CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

WGK Germany

RTECS

US4615000

UN Number

3077

Packing Group

III

Molecular Weight

410.41

Reaxy-Rn

7233432

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7233432&ln=

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinesulfonamides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinesulfonamides
Alternative Parents	Nicotinamides Sulfonylureas Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine-2-sulfonamide - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Sulfonylurea - Pyrimidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Carboximidic acid derivative - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
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

3D Structure

Associated Targets(non-human)

Echinochloa crus-galli (3685 Activities)

Lot Number	Certificate Type	Date	Item
H2408639	Certificate of Analysis	May 19, 2026	N110042
H2307116	Certificate of Analysis	Aug 14, 2023	N110042
G2209178	Certificate of Analysis	Jul 15, 2022	N110042

Solubility	400mg/kg water (pH buffered, final pH 5.01), 120g/kg (pH7 buffered, final pH 6.85), 39.2g/kg (pH9 buffered, final pH 8.8), solubility in organic solvents (g/kg): acetone 18, acetonitrile 23, chloroform and dimethylformamide 64, dichloromethane 160, ethano
Sensitivity	Air sensitive
Melt Point(°C)	142°C
Molecular Weight	410.400 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	410.101 Da
Monoisotopic Mass	410.101 Da
Topological Polar Surface Area	161.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	642.000
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

Nicosulfuron - analytical standard , CAS No.111991-09-4

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