기본 정보
- CAS
126535-15-7- 표준 SMILES
COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1- InChIKey
IMEVJVISCHQJRM-UHFFFAOYSA-N- 분자식
- C17H19F3N6O6S
- 평균 분자량
- 492.4 g/mol
- 단동위원소 질량
- 492.10388801
개요
Triflusulfuron-methyl is a methyl ester resulting from the formal condensation of the carboxy group of triflusulfuron with methanol. A proherbicide for triflusulfuron. It has a role as a proherbicide, an EC 2.2.1.6 (acetolactate synthase) inhibitor and an agrochemical. It is a methyl ester, a member of 1,3,5-triazines, an aromatic ether, a benzoate ester, an organofluorine compound, a tertiary amino compound and a N-sulfonylurea. It is functionally related to a triflusulfuron.
이름 및 식별자
- 우선 이름
- Triflusulfuron-methyl
- IUPAC
- methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
- 영어명
- Triflusulfuron-methyl
- 분자식
- C17H19F3N6O6S
- 분자량
- 492.43
이름 및 동의어
Triflusulfuron-methyl126535-15-7Y8AR13FYC0DTXSID2032502CHEBI:82047methyl 2-[({[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}amino)sulfonyl]-3-methylbenzoatemethyl-2-(4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2-ylcarbamoysulfamoyl)-m-toluateMETHYL 2-(4-DIMETHYLAMINO-6-(2,2,2-TRIFLUOROETHOXY)-1,3,5-TRIAZIN-2-YLCARBAMOYLSULFAMOYL)-M-TOLUATEmethyl 2-[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylcarbamoylsulfamoyl]-m-toluatemethyl 2-((((4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)carbamoyl)amino)sulfonyl)-3-methylbenzoateRefChem:933409DTXCID0012502
이름 더 보기
SAFARIDEBUTDuburUpbeatTriusulfuron-Methylriflusulfuron-methylTriflusulfuron-methyTRIFLUSULPHURONMETHYL
UpbeetTriflusulfuron-methyl [ISO]Triflusulfuron methyl esterUpbeet; DPX 66037DPX 66037Trifluorsulfuron-methylMFCD03095701Benzoic acid, 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methyl-, methyl ester
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 793
실험 및 물리화학적 성질
Pesticides
Environmental transformation -> Pesticides (parent, predecessor)
Pesticide
LogP3.11
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 160 · 160-163°
- 밀도
- 1.493 · 1.493±0.06 g/cm3(Predicted)
- 인화점
- 150 °C · 150 °C
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 산도 계수 (pKa)
- 4.4 · 4.4(at 25℃)
- BRN
- 8171352 · 8171352
- Henry's Law Constant
- 4.2 · 4.2×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 주요 응용
- 농업환경
- InChI
- InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
- InChIKey
- IMEVJVISCHQJRM-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=CC(C)=C1S(NC(NC1=NC(N(C)C)=NC(OCC(F)(F)F)=N1)=O)(=O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Commission Regulation No 844/2012
Triflusulfuron-methyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Hazard Classes and Categories
Carcinogenicity - category 2
Carc. 2
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values
0.0244
OPP
USGS Health-Based Screening Levels for Evaluating Water-Quality
Triflusulfuron methyl
61691
Pesticide
144
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Human Health Benchmarks for Pesticides
Triflusulfuron-methyl
0.0244
144
General Population
Human Health Benchmarks for Pesticides - 2021 Update
화학 및 산업
용도 및 제조
UsesThis is a man-made compound that is used as a pesticide.
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
응용 분야
용도Herbicide.
공급사87 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Qingdao Trust Agri Chemical Co.,Ltd+86-008615963231493 +86-008613573296305 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Syntechem Co.,Ltd[email protected]
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