Trifloxysulfuron-sodium
기본 정보
- CAS
199119-58-9- 표준 SMILES
COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2OCC(F)(F)F)n1.[Na+]- InChIKey
UFEIWEXHHOXPGP-UHFFFAOYSA-M- 분자식
- C14H13F3N5NaO6S
- 평균 분자량
- 459.34 g/mol
- 단동위원소 질량
- 459.04363309
개요
Trifloxysulfuron-sodium is a sulfonylurea class herbicide that functions as an ALS inhibitor. It is a systemic herbicide that moves throughout the plant tissue and prevents plants from producing an essential enzyme, acetolactate synthase (ALS or AHAS), which is not found in animals. This enzyme is key for the biosynthesis of branched chain amino acids. Susceptible plants will stop growing soon after treatment, but plant death and decomposition will occur over several weeks. It is used for the control of broadleaf weeds found on lawns and turf such as clover, dandelions and carpetweed,
이름 및 식별자
- 우선 이름
- Trifloxysulfuron-sodium
- IUPAC
- sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonyl]azanide
- 영어명
- Trifloxysulfuron-sodium
- 분자식
- C14H14F3N5O6S.Na
- 분자량
- 460.34
이름 및 동의어
Trifloxysulfuron-sodium199119-58-9Trifloxysulfuron sodium saltMonumentTrifloxysulfuron-sodium [ISO]UNII-YN8A53M01YYN8A53M01YDTXSID8040222EC 688-332-8DTXCID6020222NOJ-120CGA-362622
이름 더 보기
TRIFLOXYSULFURON SODIUMEnvoke(TM)cga 362622Trioxysulfuron sodiuMrifloxysulfuron-sodiumTrifluoropyrithione sulfonamidetrifloxysulfuron sodium (bsi, pa iso)Trioxysulfuron sodium Solution, 100ppmSodium N'-(4,6-dimethoxypyrimidin-2-yl)-N-[3-(2,2,2-trifluoroethoxy)-2-pyridylsulfonyl]imidocarbamate
N-((4,6-Dimethoxy-2-pyrimidinyl)carbamoyl)-3-(2,2,2-trifluoro-ethoxy)-pyridine-2-sulfonamide sodium salt2-PYRIDINESULFONAMIDE, N-(((4,6-DIMETHOXY-2-PYRIMIDINYL)AMINO)CARBONYL)-3-(2,2,2-TRIFLUOROETHOXY)-, SODIUM SALT (1:1)sodium ((4,6-dimethoxypyrimidin-2-yl)carbamoyl)(((3-(2,2,2-trifluoroethoxy)pyridin-2-yl)sulfonyl))azanidesodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl]({[3-(2,2,2-trifluoroethoxy)pyridin-2-yl]sulfonyl})azanideRefChem:191565sodium;(4,6-dimethoxypyrimidin-2-yl)carbamoyl-[3-(2,2,2-trifluoroethoxy)pyridin-2-yl]sulfonylazanidetrifloxy-sulfuron sodiumSCHEMBL120688
물성
구조 계산 물성
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 641
물리화학적 성질
- 녹는점
- 175 · 175-177°C
- 밀도
- 0.002 g/cm3 · 0.002g/cm3 at 21℃
- 증기압
- 1.3 · <1.3 × 10-6(Pa at 20 °C)
- 저장 조건
- 0 · 0-6°C
- 용해도
- Solubility in organic solvents (g/l at 25 °C) Acetone 17.0 Ethyl acetate 3.8 n-Hexane <0.001 Methanol 50.0 Octanol 4.4 Toluene <0.001 Acetone 17.0
- 산도 계수 (pKa)
- Dissociation constant (pKa at 20 °C) 4.76
- 색상
- 하얀색
- 수용성
- 25 °C에서 · 물에 대한 용해도(25°C에서 g/l) 0.063(pH 5) 5.016(pH 7) 25.7(pH 7.4)
- InChI
- InChI=1S/C14H14F3N5O6S.Na/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);/q;+1/p-1
- InChIKey
- UFEIWEXHHOXPGP-UHFFFAOYSA-M
- SMILES
- S(=O)(=O)(C1=C(C=CC=N1)OCC(F)(F)F)N([Na])C(=O)NC1=NC(OC)=CC(OC)=N1
- LogP
- -1.6 · -1.6-1.4 at 25℃ and pH5-9.1
- 표면장력
- 65.8 mN/m · 65.8mN/m at 1g/L and 20℃
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400 (100%): 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)
Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide (EC: 688-332-8)
Hazard Classes and CategoriesAquatic Acute 1 (100%)
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- 3
화학 및 산업
용도 및 제조
UsesThis is a man-made compound that is used as a pesticide.
응용 분야
용도Used as a herbicide.
관련 반응
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