기본 정보
- 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Azimsulfuron is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group.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
이름 더 보기
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
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
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
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
공급사50 곳
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