Triasulfuron

LOGRAN · AMBER(R) · LOGRAN(R) · cga-131036 · TRISULFURON · TRIASULFURON · TRIASULPHURON · Triasulfuron 0

https://huagongshe.com/ko/chemical/73282

식별자 및 물리적 특성

CAS No.	82097-50-5
분자식	C14H16ClN5O5S
평균 분자량	401.8 g/mol
단동위원소 질량	401.0560675 g/mol
SMILES	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
InChIKey	XOPFESVZMSQIKC-UHFFFAOYSA-N
PubChem CID	73282
ChEMBL	CHEMBL1896787
ChEBI	CHEBI:9673
EC No.	617-298-9
DTXSID	DTXSID0024345

화학 및 물리적 성질

XLogP	2.3
극성 표면적	141
수소 결합 공여자 수	2
수소 결합 수용자 수	8
회전 가능 결합 수	7
무거운 원자 수	26
형식 전하	0
복잡도	560
농약	Pesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: Not approvedEnvironmental transformation -> Pesticides (parent, predecessor)Pesticide (Triasulfuron) -> USDA PDB
LogP(분배 계수)	log Kow = 1.1 (pH 5.0), -0.59 (pH 6.9), -1.8 (pH 9.0) at 25 °C2.04
밀도	1.5 g/cu cm1.5218 (rough estimate)
Color/Form	Fine white powder
용해도	In water, 1.5 g/L (pH 7) at 20 °CIn water, 32 mg/L (pH 5), 815 mg/L (pH 7), 13,500 mg/L (pH 8.2) at 25 °CSolubility (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 300DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
Decomposition	Hazardous decomposition products formed under fire conditions: Carbon oxides, nitrogen oxides (NOx), sulfur oxides, hydrogen chloride gas.
녹는점	178.1 °C (decomposes)Melting point: 186 °C178°C
증기압	Vapor pressure: 7.5X10-13 mm Hg at 20 °CVapor 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)0Pa at 25℃
Stability/Shelf Life	Stable under recommended storage conditions.
Ionization Efficiency	Positive2.172.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Dissociation Constants	pKa = 4.64
Other Experimental Properties	Henry's Law constant = <2.5X10-10 atm-cu m/mole at 23 °C (estimated from vapor pressure and water solubility (pH 5)calculated value at pH7 and pH9 will be even lower due to higher water solubility
끓는 점	150-260 °C
굴절률	1.5630 (estimate)
저장 조건	0-6°C
pKa(산도 계수)	4.34±0.10(Predicted)
BRN	7151883
헨리 상수	8.0×108 mol/(m3Pa) at 25℃, Ebert et al. (2023)
주요 응용	농업환경
InChI	1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKey	XOPFESVZMSQIKC-UHFFFAOYSA-N
SMILES	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
LogP(분배 계수)	1.6-2.6 at 25℃ and pH5-9
EPA	Triasulfuron (82097-50-5)

안전 및 규제

GHS 분류	WarningH400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
규제 정보	Commission Regulation (EU) No 1141/2010Triasulfuron is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)00/66/EC, 2010/77/EU, Reg (EU) 2015/408, Reg. (EU) 2015/1885, Reg. (EU) 2016/864, Reg. (EU) No 540/2011REACH registered substance: Triasulfuron (EC: 617-298-9)
FIFRA 요건	Tolerances are established for residues of the herbicide triasulfuron [3-(6-methoxy-4-methyl-1,3,5-triazin-2-yl)-1-(2-(2-chloroethoxy)phenylsulfonyl)urea] in or on the following raw agricultural commodities:[Table#8503]
Hazard Classes and Categories	Aquatic Acute 1 (100%)Hazardous to the aquatic environment (acute) - category 1
Hazardous Reactivities and Incompatibilities	Incompatible materials: Strong oxidizing agents
소화 절차	Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.
보관 조건	Keep container tightly closed in a dry and well-ventilated place.
정리 방법	ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.
처리 방법	SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality

용도

Herbicide.