3D Mol Similar

Nicosulfuron

: Iupac Name：2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide; CAS No.: 111991-09-4; Molecular Weight：410.405; Modify Date.: 2022-11-07 02:12; Introduction: Nicosulfuron is a kind of herbicides belonging to the sulfonylurea family. It is a broad-spectrum herbicide that can controls many kinds of maize weeds including both annual weeds and perennial weed including Johnsongrass, quackgrass, foxtails, shattercane, panicums, barnyardgrass, sandbur, pigweed and morningglory. It is a systemic selective herbicide, being effective in killing plants near the maize. This selectivity is achieved through maize’s capability of metabolizing Nicosulfuron into harmless compound. Its mechanism of action is through inhibiting the enzyme acetolactate synthase (ALS) of the weeds, blocking the synthesis of amino acids such as valine and isoleucine, and finally inhibiting the protein synthesis and causing death of weeds. View more+

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1. Names and Identifiers

: 1.1 Name; Nicosulfuron; 1.2 Synonyms; 1-(4,6-Dimethoxy-2-pyrimidinyl)-3-[3-(dimethylcarbamoyl)-2-pyridylsulfonyl]urea 1-(4,6-Dimethoxy-2-pyrimidinyl)-3-[3-(dimethylcarbamoyl)-2-pyridylsulfonyl]urea, 2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,N-dimethylnicotinamide 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2-pyridylsulfonyl)urea 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide 2-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,N-dimethylnicotinamide 2-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-N,N-dimethyl-3-pyridinecarboxamide 2-{[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-N,N-dimethylnicotinamide 2-{[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylnicotinamide 2-{[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide 3-Pyridinecarboxamide, 2-[[[(Z)-[(4,6-dimethoxy-2-pyrimidinyl)imino]hydroxymethyl]amino]sulfonyl]-N,N-dimethyl- 3-Pyridinecarboxamide, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-N,N-dimethyl- ACCENT ACCENT (TM) Accent【pesticide】 Accetn DPX V9360 EINECS 244-666-2 MFCD00203303 MU 495 N'-(4,6-Dimethoxy-2-pyrimidinyl)-N-{[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl}carbamimidic acid nicosulfuron [ANSI] Nisshin T6N CNJ DO1 FO1 BMVMSW- BT6NJ CVN1&1; View all

1.3 CAS No.: 111991-09-4

1.4 CID: 73281

1.5 EINECS(EC#): 601-148-4

1.6 Molecular Formula: C15H18N6O6S (isomer)

1.7 Inchi: 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)

1.8 InChIkey: RTCOGUMHFFWOJV-UHFFFAOYSA-N

1.9 Canonical Smiles: CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

1.10 Isomers Smiles: CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

2. Properties

2.1 Density: 1.445

2.1 Melting point: 142℃

2.1 Boiling point: °Cat760mmHg

2.1 Refractive index: 1.7000 (estimate)

2.1 Flash Point: °C

2.1 Precise Quality: 410.10100

2.1 PSA: 161.09000

2.1 logP: 1.64570

2.1 Solubility: 0.25 g/L (25 C)

2.2 AnalyticLaboratory Methods: Adequate enforcement methodology (high performance liquid chromatography with tandem mass spectrometric (HPLC/MS/MS) detection method) is available to enforce the tolerance expression.

2.3 Appearance: White solid

2.4 Storage: 0-6°C

2.5 Chemical Properties: White Solid

2.6 Color/Form: Colorless white solid

2.7 Odor: Phenolic

2.8 pKa: pKa (25°): 4.6

2.9 Water Solubility: 0.25 g/L (25 C)

2.10 Stability: Stable at normal temperatures and pressures.

2.11 StorageTemp: Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Agricultural Uses: Herbicide: Used as a post-emergence herbicide to control avariety of weeds on field corn and popcorn crops. Someformulations may be U.S. EPA restricted Use Pesticides(RUP). Approved for use in EU countries.

3.2 Definition: ChEBI: A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen.

3.3 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 138 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H315 (21.74%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (21.01%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400 (94.93%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (94.93%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501; View all

3.4 Methods of Manufacturing: Nicosulfuron; is produced by reaction of 2-sulfamoylchloride-3-N-dimethylaminocarboxypyridine with 2-amino-4,6-dimethylpyrimidine;.

3.5 Potential Exposure: Nicosulfuron is a sulfonylurea postemergenceherbicide used to control a variety of weeds onfield corn and popcorn crops. Some formulations may beregistered as United States Restricted Use Pesticides (RUP)

3.6 Shipping: UN3077 or UN3082 Environmentally hazardoussubstances, liquid or solid, n.o.s., Hazard Class: 9; Labels:9-Miscellaneous hazardous material, Technical NameRequired.

3.7 Usage: Herbicide.

3.8 Waste Disposal: It is the responsibility of chemicalwaste generators to determine the toxicity and physicalproperties and of a discarded chemical and to properly identifyits classification and certification as a hazardous waste and todetermine the disposal method. United States EnvironmentalProtection Agency guidelines for the classification determinationare listed in 40 CFR Parts 261.3. Additionally, waste generatorsmust consult and follow all regional, national, stateand local hazardous waste laws to ensure complete and accurateclassification and disposal methods. Nicosulfuron Preparation Products And Raw materials Preparation Products

4. Safety and Handling

4.1 Symbol: GHS07, GHS09

4.1 Hazard Codes: T

4.1 Signal Word: Warning

4.1 Risk Statements: R36/38

4.1 Safety Statements: S24/25;S26

4.1 Hazard Declaration: H315-H319-H410

4.1 RIDADR: UN 3077 9 / PGIII

4.1 Caution Statement: P273-P305 + P351 + P338-P501

4.1 WGK Germany: 1

4.1 RTECS: US4615000

4.1 Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US4615000

CHEMICAL NAME :: 3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)ami no)sulfonyl)- N,N-dimethyl-

CAS REGISTRY NUMBER :: 111991-09-4

LAST UPDATED :: 199109

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C15-H18-N6-O6-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C219,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C219,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: >2250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C219,1991

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P273 Avoid release to the environment.
Response	P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

7. Other Information

7.0 References: http://www.agchemaccess.com/Nicosulfuron
http://pmep.cce.cornell.edu/profiles/extoxnet/metiram-propoxur/nicosulfuron-ext.html

7.1 Chemical Properties: White Solid

7.2 Chemical Properties: White crystalline solid or powder. Phenolic odor.

7.3 Uses: Post-emergence sulfonylurea herbicide

7.4 Definition: ChEBI: A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen.

7.5 Uses: Herbicide.

7.6 Agricultural Uses: Herbicide: Used as a post-emergence herbicide to control a variety of weeds on field corn and popcorn crops. Some formulations may be U.S. EPA restricted Use Pesticides (RUP). Approved for use in EU countries.

7.7 Trade name: ACCENT®; BASIS®; CELEBRITY®; CHALLENGER®; DASUL®; DPX 79406® Herbicide (with Rimsulfuron); DPX-V9636®; GHIBLI®; LAMA®; MATRIX® Herbicide (with Rimsulfuron); MILAGRO®; MISTRAL®; MOTIVEL®; NISSHIN®; SAMSON®; STEADFAST® (nicosulfuron + rimsulfuron)

7.8 Potential Exposure: Nicosulfuron is a sulfonylurea postemergence herbicide used to control a variety of weeds on field corn and popcorn crops. Some formulations may be registered as United States Restricted Use Pesticides (RUP)

7.9 First aid: If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions) if breathing has stopped, and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Do not induce vomiting when formulations containing petroleum solvents are ingested.

7.10 Metabolic pathway: In the four systems investigated, the primary degradation pathway is to yield pyridine sulfonamide and 4,6-dimethoxy-2-aminopyrimidine. The plant and its microsomal system include the hydroxylation pathway at the 4-position of the pyrimidine ring, resulting in hydrolysis products by the cleavage of the sulfonylurea linkage. In mammals, contraction or rearrangement of the sulfonylurea linkage for nicosulfuron and N- demethylated nicosulfuron yields two unique products which have the N-pyridyl-N-pyrimidyl urea moiety and result in the uracil metabolite.

7.11 Shipping: UN3077 or UN3082 Environmentally hazardous substances, liquid or solid, n.o.s., Hazard Class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required.

7.12 Waste Disposal: It is the responsibility of chemical waste generators to determine the toxicity and physical properties and of a discarded chemical and to properly identify its classification and certification as a hazardous waste and to determine the disposal method. United States Environmental Protection Agency guidelines for the classification determination are listed in 40 CFR Parts 261.3. Additionally, waste generators must consult and follow all regional, national, state and local hazardous waste laws to ensure complete and accurate classification and disposal methods.

7.13 Trade name: ACCENT?; BASIS?; CELEBRITY?; CHALLENGER?; DASUL?; DPX 79406? Herbicide (with Rimsulfuron); DPX-V9636?; GHIBLI?; LAMA?; MATRIX? Herbicide (with Rimsulfuron); MILAGRO?; MISTRAL?; MOTIVEL?; NISSHIN?; SAMSON?; STEADFAST? (nicosulfuron + rimsulfuron)

8. Computational chemical data

Molecular Weight: 410.405g/mol
Molecular Formula: C₁₅H₁₈N₆O₆S
Compound Is Canonicalized: True
XLogP3-AA: 0.6
Exact Mass: 410.10085349
Monoisotopic Mass: 410.10085349
Complexity: 642
Rotatable Bond Count: 6
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 9
Topological Polar Surface Area: 161
Heavy Atom Count: 28
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBzuABAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHgQQQAAADADB2gY/lZfIFAKoAjF3dHDK2Dk1IqAJ2DE+bNiMLfrE/dmEJahrgw7I6eYYAQAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Question & Answer

What is the mechanism of action of Nicosulfuron? May 24 2023
Nicosulfuron is a systemic herbicide of the sulfonylurea class. It is rapidly absorbed by the stems, leaves, and roots of plants and quickly translocated through the xylem and phloem. It inhibits the ..
What are the characteristics, uses, and storage guidelines for Nicosulfuron? Jul 19 2022
Nicosulfuron is a white solid with no characteristic odor. It is widely used in agriculture due to its high selectivity, wide weeding spectrum, and excellent herbicide performance. Characteristics Nic..
How Does Nicosulfuron Herbicide Control Weeds in Maize? Feb 10 2022
Title: How Does Nicosulfuron Herbicide Control Weeds in Maize? Can Nicosulfuron Herbicide effectively control a wide range of broadleaf and grass weeds in maize? Nicosulfuron is a recommended post-eme..
What are the main characteristics and mechanisms of Nicosulfuron? Nov 07 2020
Nicosulfuron is a sulfonylurea selective herbicide discovered by Japanese Ishihara Sangyo and jointly developed with DuPont in the 1980s. It is mainly used to control annual and perennial grasses and ..

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