기본 정보
- 표준 SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1- InChIKey
CTTHWASMBLQOFR-UHFFFAOYSA-N- 분자식
- C9H15N5O7S2
- 평균 분자량
- 369.4 g/mol
- 단동위원소 질량
- 369.04128982
개요
Amidosulfuron is an aromatic ether.
이름 및 식별자
- 우선 이름
- Amidosulfuron
- IUPAC
- 1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
- 영어명
- Amidosulfuron
- 분자식
- C9H15N5O7S2
- 분자량
- 369.37
이름 및 동의어
Amidosulfuron120923-37-76ZNU868K0SDTXSID7057945RefChem:111974DTXCID5031713Amidosulfuron [ISO]1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]ureaN-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide3,5-Dithia-2,4-diazahexanamide, N-(4,6-dimethoxy-2-pyrimidinyl)-4-methyl-, 3,3,5,5-tetraoxideCratil; Gratil; Grodyl; HOE 075032; Hoestar;AdretAC1L3MSD
이름 더 보기
GRATIL50%GRATIL75%GRATILAmidosulfuron PESTANALC10162000 AmidosulfuronMETHYLMETHANESULFONAMIDEAmidosulfuron in AcetonitrileAmidosulfuron Solution, 100ppm
UNII-6ZNU868K0SC9H15N5O7S2WRQMFCD01310639SureCN54922AMIDOSULFURON [MI]SCHEMBL54922CHEBI:2635
데이터베이스 식별자
- CAS
120923-37-7- PubChem CID
- 91777
- DTXSID
DTXSID7057945- ChEBI
CHEBI:2635- UNII
- 6ZNU868K0S
- EC Number
- 407-380-0、601-744-4
- Nikkaji
- J661.714J
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 599
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
LogP1.63
물리화학적 성질
- 녹는점
- 160 · 160-163°C
- 밀도
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 산도 계수 (pKa)
- 0.12 · 0.12±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- Henry's Law Constant
- 6.4 · 6.4×105 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 안정성
- 흡습성, 용액 내 불안정
- 주요 응용
- 농업환경
- InChI
- 1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)
- InChIKey
- CTTHWASMBLQOFR-UHFFFAOYSA-N
- SMILES
- COc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1
- LogP
- 1.63 · 1.630
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
H332 (22.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1490/2002
2007/76, 2008/40, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Acute Tox. 4 (22.7%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
안전 데이터
- wgk
- 1
- risk_code
- 52/53
- safety_code
- 61
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
응용 분야
용도Herbicide.
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