Triasulfuron

Description

Triasulfuron · CAS 82097-50-5 · C14H16ClN5O5S. UNII 299LHF498M. Melting Point: 178.1 °C (decomposes); Melting Point: Melting point: 186 °C; Solubility: In water, 1.5 g/L (pH 7) at 20 °C.

Identification

CAS Registry Number	82097-50-5
PubChem CID	73282
Molecular formula	C14H16ClN5O5S
IUPAC name	1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
UNII (FDA)	299LHF498M

Computed Descriptors

Molecular Weight	401.8
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	401.0560675
Monoisotopic Mass	401.0560675
Topological Polar Surface Area	141
Heavy Atom Count	26
Formal Charge	0

Physical & Chemical Properties

Melting Point	178.1 °C (decomposes)
Melting Point	Melting point: 186 °C
Solubility	In water, 1.5 g/L (pH 7) at 20 °C
Density	1.5 g/cu cm
LogP	log Kow = 1.1 (pH 5.0), -0.59 (pH 6.9), -1.8 (pH 9.0) at 25 °C
LogP	2.04
Ionization Efficiency	2.17
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	DOI:10.1038/s41598-020-62573-z

Physical description & handling notes

• Fine white powder
• In water, 32 mg/L (pH 5), 815 mg/L (pH 7), 13,500 mg/L (pH 8.2) at 25 °C
• Solubility (g/L at 25 °C): Acetone 14, dichloromethane 36, ethyl acetate 4.3); Solubility (mg/L at 25 °C): ethanol 420, n-octanol 130, n-hexane 0.04, toluene 300
• Vapor pressure: 7.5X10-13 mm Hg at 20 °C
• Vapor pressure: 2.25X10-10 mm Hg at 25 °C (based on the Knudsen diffusivity (m sq/sec) measured value for triasulfuron's close analog Chlorsulfuron)
• <1.5X10-8 mm Hg at 25 °C (OECD Guideline Method 104)

GHS Hazard Classification

Reported hazard statements	H400, H410, H332

Documented Uses

• ... Selective herbicide used pre- and post-emergence for the control of annual broad-leaved weeds in wheat, barley, and triticale.
• Triasulfuron is produced by reaction of 2- chloroethoxyphenylsulfamoyl chloride with 2- amino-4-methoxy-6-methyl-1,3,5-triazine.
• Preparation: W. Meyer, W. Fory, European Patent Office patent 44808; eidem, United States of America patent 4514212 (1982, 1985 both to Ciba-Geigy)
• Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Triasulfuron; National Aggregate Production Volume: 51,252 pounds (2011).
• Registration Notes: Outside USA: Sold commercially in Europe.

Synonyms

Triasulfuron; 82097-50-5; Logran; CGA 131036; EPA Pesticide Chemical Code 128969; DTXSID0024345; 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea; CGA-131036; 299LHF498M; 2-(2-Chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)benzenesulfonamide; CHEBI:9673; DTXCID204345; 1-(2-(2-Chloroethoxy)phenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (IUPAC); Benzenesulfonamide, 2-(2-chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-; 1-(2-(2-CHLOROETHOXY)PHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)UREA; 1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Frequently Asked Questions

What are the CAS number and molecular formula of Triasulfuron?

CAS 82097-50-5; molecular formula C14H16ClN5O5S; molecular weight — g/mol.

What other names is Triasulfuron known by?

Triasulfuron, 82097-50-5, Logran, CGA 131036, EPA Pesticide Chemical Code 128969, DTXSID0024345.

Is Triasulfuron classified as hazardous?

Hazard statements reported: H400, H410, H332.

What are the key physical properties of Triasulfuron?

Melting Point: 178.1 °C (decomposes); Melting Point: Melting point: 186 °C; Solubility: In water, 1.5 g/L (pH 7) at 20 °C; Density: 1.5 g/cu cm.

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.