Nicosulfuron

Description

Nicosulfuron · CAS 111991-09-4 · C15H18N6O6S. UNII CG297D9264. Melting Point: 172 °C; Melting Point: MP: 169-172 °C; 140-161 °C (technical); Solubility: In water (ppm), 44 at pH 3.5: 22000 (pH 7).

Identification

CAS Registry Number	111991-09-4
PubChem CID	73281
Molecular formula	C15H18N6O6S
IUPAC name	2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
UNII (FDA)	CG297D9264

Computed Descriptors

Molecular Weight	410.4
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	410.10085349
Monoisotopic Mass	410.10085349
Topological Polar Surface Area	161
Heavy Atom Count	28
Formal Charge	0

Physical & Chemical Properties

Melting Point	172 °C
Melting Point	MP: 169-172 °C; 140-161 °C (technical)
Solubility	In water (ppm), 44 at pH 3.5: 22000 (pH 7)
Solubility	In water, 7.4X10+3 mg/L at pH 7, 25 °C
Solubility	In water, 1.2X10+4 mg/L at 25 °C
Density	9.53 g/mL
Vapor Pressure	VP: 1.2X10-16 mm Hg at 25 °C
Vapor Pressure	<8X10-7 mPa /<6.0X10-12 mm Hg/ at 25 °C
LogP	-0.36
Dissociation Constants	pKa = 4.60

Physical description & handling notes

• Colorless white solid
• Colorless crystals
• Tan-colored
• Phenolic
• Solubilities (all in g/kg, 25 °C): acetone 18, ethanol 4.5, chloroform, DMF 64, acetonitrile 23, toluene 0.370, hexane <0.02, dichloromethane 160
• Density: 0.313 (bulk)

Regulatory Status

GHS notification summary	50% (1 / 2)

GHS Hazard Classification

GHS notification summary	50% (1 / 2)
Reported hazard statements	H315 (28.1%), H319 (27.5%), H400 (95%), H410 (95%)

Documented Uses

• Sulfonyl herbicide registered for early-postemergent and postemergent use on corn
• Nicosulfuron is produced by reaction of 2-sulfamoylchloride-3-N-dimethylaminocarboxypyridine with 2-amino-4,6-dimethylpyrimidine.
• Following first commercial use in 1990, its use has grown to 12% of surveyed corn acres, with a total of 111 thousand kg applied in 1996
• Two female goats weighing 43 kg (#1) and 34 kg (#2) (1.4 and 1.8 mg/kg bodyweight respectively), were dosed daily for 3 consecutive days in feed rations treated with (pyrimidine2-(14)C)nicosulfuron, sp. act., 62.2 uCi/mg, radiochemical purity, >95%, isotopic purity, 97%, and (pyridine-2-(14)C)nicosulfuron, sp. act., 62.9 uCi/mg, radiochemical purity, >95%, isotopic purity, >99%, respectively. Dosing capsules were prepared with the (14)C-labeled materials, 13C-enriched isomers (C2 position of each respective ring),
• The ... /absorption and elimination/ of /nicosulfuron/ (2-(4,6-dimethoxy-2-pyrimidinyl) aminocarbonylaminosulfonyl-N,N-dimethyl-3-pyridinecarboxamide) was studied in male and female Sprague-Dawley Crl:CDBR rats. Pyridine-2-(14)C nicosulfuron was administered orally at 10 mg/kg or 1000 mg/kg, at 10 mg/kg following oral administration of unlabeled nicosulfuron at 10 mg/kg/day for 14 days, and intravenously at 10 mg/kg. Pyrimidine-2-(14)C labeled nicosulfuron was also administered orally at 1000 mg/kg. Total recovery

Synonyms

Nicosulfuron; 111991-09-4; DTXSID6034764; SL-950; CG297D9264; CHEBI:7554; 3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-; DTXCID4014764; DPX-V9360; MU-495; 2-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-N,N-DIMETHYLNICOTINAMIDE; RefChem:854094; 2-((((4,6-Dimethoxy-(2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-3-pyridinecarboxamide; 686-897-5; 691-662-5; Milagro

Frequently Asked Questions

What are the CAS number and molecular formula of Nicosulfuron?

CAS 111991-09-4; molecular formula C15H18N6O6S; molecular weight — g/mol.

What other names is Nicosulfuron known by?

Nicosulfuron, 111991-09-4, DTXSID6034764, SL-950, CG297D9264, CHEBI:7554.

Is Nicosulfuron classified as hazardous?

50% of GHS notifications report no hazard classification (1 of 2).

What are the key physical properties of Nicosulfuron?

Melting Point: 172 °C; Melting Point: MP: 169-172 °C; 140-161 °C (technical); Solubility: In water (ppm), 44 at pH 3.5: 22000 (pH 7); Solubility: In water, 7.4X10+3 mg/L at pH 7, 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.