아짐설푸론
Azimsulfuron
기본 정보
- CAS
120162-55-2- 표준 SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1- InChIKey
MAHPNPYYQAIOJN-UHFFFAOYSA-N- 분자식
- C13H16N10O5S
- 평균 분자량
- 424.4 g/mol
- 단동위원소 질량
- 424.10258461
개요
Azimsulfuron is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of broad-leaved and sedge weeds in paddy fields and other aquatic situations. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor and a herbicide. It is an aromatic ether, a member of tetrazoles, a pyrazole pesticide, a biaryl and a N-sulfonylurea.
이름 및 식별자
- 우선 이름
- Azimsulfuron
- IUPAC
- 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea
- 현지명
- 아짐설푸론
- 영어명
- Azimsulfuron
- 분자식
- C13H16N10O5S
- 분자량
- 424.4
이름 및 동의어
Azimsulfuron120162-55-2DPX 47DPX-A 8947IN-A 894A 8947A-8947A8947N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamideR959I3139CDTXSID8041614CHEBI:81746
이름 더 보기
아짐설푸론dpx47ExpretJS 458GULLIVERin-a8947dpx-a8947AZIMSULPHURON
1-(4,6-DIMETHOXYPYRIMIDIN-2-YL)-3-(1-METHYL-4-(2-METHYL-2H-TETRAZOL-5-YL)PYRAZOL-5-YLSULFONYL)UREA1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-ylsulfonyl]ureaN-((4,6-dimethoxy-2-pyrimidinyl)carbamoyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide1-(4,6-dimethoxypyrimidin-2-yl)-3-(1-methyl-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-1H-pyrazole-5-sulfonyl)urea1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-1H-pyrazole-5-sulfonyl]urean-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-1-methyl-4-(2-methyl-2h-tetrazol-5-yl)-1h-pyrazole-5-sulfonamideRefChem:116120DTXCID6021614
데이터베이스 식별자
- CAS
120162-55-2- PubChem CID
- 86355
- DTXSID
DTXSID8041614- ChEBI
CHEBI:81746- UNII
- R959I3139C
- EC Number
- 601-676-5
- Nikkaji
- J668.740G
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 665
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
Pesticide (Azimsulfuron) -> USDA PDB
LogP0.65
Solubility1050 mg/L @ 20 °C (exp)
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point170 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 170 ° · 170°
- 밀도
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- Solubility in organic solvents (g/l at 25 °C) Acetone 26.4 Acetonitrile 13.9 Ethyl acetate 13.0 Dichloromethane 65.9 n‐Hexane <0.2 Methanol 2.1 Toluene 1.8
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 3.6 · 3.6(at 25℃)
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 대한 용해도(20°C에서 g/l): 0.072(pH 5) 1.050(pH 7) 6.536(pH 9).
- BRN
- 8284859 · 8284859
- Henry's Law Constant
- 2 · 2.0×109 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 주요 응용
- 농업환경
- InChI
- 1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)
- InChIKey
- MAHPNPYYQAIOJN-UHFFFAOYSA-N
- SMILES
- COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(cnn2C)-c3nnn(C)n3)n1
- LogP
- 0.65 · 0.650
- EPA
- Azimsulfuron (120162-55-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400: 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)
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)
유해성 정보
Regulatory Information
Commission Regulation (EC) No 737/2007
1999/80/EC, 2007/21/EC, 2010/54/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011, Reg. (EU) No 704/2011
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
안전 데이터
- wgk
- WGK 2
- ridadr
- UN 3077 9 / PGIII
- 독성
- LD50 in rats, bobwhite quail, mallard duck (mg/kg): >5000, >2250, >2250 orally; in rats (mg/kg): >2000 dermally (Marquez); LC50 (96 hr) in carp, bluegill sunfish, rainbow trout (ppm): >300, >1000, 154 (Marquez)
- HS 번호
- 29350090
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- 기존화학 물질
- 97-3-475
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
Cellular LocationsCytoplasm
응용 분야
용도Azimsulfuron may be used as an analytical reference standard for the determination of the pesticide in:Paddy field water by direct injection using liquid chromatography-hybrid triple quadrupole-linear ion trap-mass spectrometry (LC-QqLIT-MS).Tap and leaching water samples by solid-phase extraction (SPE), followed by LC coupled to tandem mass spectrometry (LC-MS/MS).
일반 설명Azimsulfuron is a sulfonylurea based pesticide.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…