티펜술퍼론-메틸

티펜술퍼론-메틸 · THIFENSULFURON-METHYL · PINNACLE · HARMONY · dpx-m6316 · ThifensuL · thiameturon · Harmony(TM)

https://huagongshe.com/ko/chemical/73674

식별자 및 물리적 특성

CAS No.	79277-27-3
분자식	C12H13N5O6S2
평균 분자량	387.4 g/mol
단동위원소 질량	387.03072514 g/mol
SMILES	COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
InChIKey	AHTPATJNIAFOLR-UHFFFAOYSA-N
PubChem CID	73674
ChEMBL	CHEMBL1904815
ChEBI	CHEBI:83453
EC No.	616-673-4
DTXSID	DTXSID1024124
현지명	티펜술퍼론-메틸

화학 및 물리적 성질

XLogP	1.6
극성 표면적	186
수소 결합 공여자 수	2
수소 결합 수용자 수	10
회전 가능 결합 수	6
무거운 원자 수	25
형식 전하	0
복잡도	597
농약	Pesticide -> EPA IRISAgrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: ApprovedPesticides -> Herbicides, SulfonylureaEnvironmental transformation -> Pesticides (parent, predecessor)
LogP(분배 계수)	log Kow = -1.561.52
냄새	Odorless
밀도	1.580 g/cu cm1.560±0.06 g/cm3(Predicted)
Color/Form	Off-white solid
용해도	In water, 2.24X10+3 mg/L at 25 °CDMSO (Slightly, Heated), Methanol (Slightly, Heated)
Human Drugs	Pharmaceuticals
Endocrine Disruptors	Potential endocrine disrupting compound
녹는점	186 °C176°C
증기압	1.28X10-10 mm Hg at 25 °C
Physical Description	White solid[Merck Index] Off-white odorless solid[HSDB]
Stability/Shelf Life	Aqueous hydrolysis DT50 4-6 days (pH 5), 180 days (pH 7), 90 days (pH 9).
저장 조건	Sealed in dry,Room Temperature
용해도	물에 거의 녹지 않음
pKa(산도 계수)	pKa at 25°: 4.0
물리적 상태	Solid
색상	흰색에서 거의 흰색
Merck	14,9316
BRN	7448062
헨리 상수	3.4×108 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용	농업환경
InChI	1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
InChIKey	AHTPATJNIAFOLR-UHFFFAOYSA-N
SMILES	COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2
LogP(분배 계수)	1.560
EPA	Thifensulfuron-methyl (79277-27-3)

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 1141/2010Thifensulfuron methyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)01/99/EC, 2010/77/EU, Reg. (EU) 2015/1885, Reg. (EU) 2016/1424, Reg. (EU) 2016/549, Reg. (EU) No 540/2011Thifensulfuron-methyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
유해성 요약	High-dose animal studies: In a 24-month feeding study at 125 mg/kg/day, rats had weight loss, and decreased serum sodiumNo evidence of carcinogenicity in a study of miceDecreased mean fetal weight in a developmental study[HSDB] An irritant[MSDSonline]
FIFRA 요건	Tolerances are established for residues of the herbicide thifensulfuron methyl (methyl-3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino] carbonyl] amino] sulfonyl]-2-thiophene carboxylate) in or on the following raw agricultural commodities: barley, grainbarley, strawcanola, seedcorn, field, foragecorn, field, graincorn, field, stovercotton, gin byproductscotton, undelinted seedflax, seedoat, grainoat, strawsoybeanwheat, grainand wheat, straw.New Active Ingredients ... includes pesticide active ingredients initially registered after November 1, 1984, that currently have active product registrations. By law, these newer pesticides are not subject to the reregistration program. They must, however, meet the new safety standard of the FQPA, and will be reviewed on a 15-year cycle under the registration review program. ... Active Ingredient Number: 128845Type of Pesticide: conventional - herbicide

용도

Herbicide.