기본 정보
- 표준 SMILES
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1- InChIKey
ZDXMLEQEMNLCQG-UHFFFAOYSA-N- 분자식
- C15H16N4O5S
- 평균 분자량
- 364.4 g/mol
- 단동위원소 질량
- 364.0841408
이름 및 식별자
- 우선 이름
- Sulfometuron-methyl
- IUPAC
- methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
- 현지명
- 설포메튜론-메틸
- 영어명
- Sulfometuron-methyl
- 분자식
- C15H16N4O5S
- 분자량
- 364.38
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
74222-97-2- PubChem CID
- 52997
- DTXSID
DTXSID0034936- ChEMBL
CHEMBL513261- ChEBI
CHEBI:9348- UNII
- JLY5D60J1A
- EC Number
- 277-780-6
- Nikkaji
- J21.691G
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 581
물리화학적 성질
- 녹는점
- 203 · 203-205°C
- 끓는 점
- 197 °C · 197°C (rough estimate)
- 밀도
- 1.48 · 1.48
- 굴절률
- 1.6 · 1.6000 (estimate)
- 산도 계수 (pKa)
- 5.7 · 5.7(at 25℃)
- Henry's Law Constant
- 8.2 · 8.2×1012 mol/(m3Pa) at 25℃, Armbrust (2000)
- 주요 응용
- 농업환경
- InChI
- 1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
- InChIKey
- ZDXMLEQEMNLCQG-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2
- EPA
- Sulfometuron methyl (74222-97-2)
화학적 성질
The prodrug is white solid. m.p. 203~205℃, vapor pressure 7.39×10-14Pa, relative density 1.48. At 25℃, the solubility is: acetone 2.4g/kg, acetonitrile 1.5g/kg, ethanol 137mg/kg, ether 32mg/kg, xylene 37mg/kg, water 8mg/L (pH=5), 70mg/L (pH =7). The partition coefficient was 0.31 (pH=7). The hydrolysis half-life of the aqueous suspension was 18d at pH=5, and it was stable at pH=7-9. The half-life in soil was about 28d.
안전 및 규제
안전 데이터
- wgk
- 2
- rtecs
- DG9096550
- ridadr
- UN3077 9/PG 3
- 독성
- LD50 in male, female rats (mg/kg): >5000, >5000 orally (Harding)
- risk_code
- 50
- hazard_code
- N
- safety_code
- 61
- Hazard Classifications
- Aquatic Acute 1
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 74222-97-2(Hazardous Substances Data)
화학 및 산업
응용 분야
용도Metsulfuron-methyl is a sulfonylurea herbicide that inhibits the synthesis of branched-chain amino acids, thereby inhibiting cell division at the growing tips of plants, preventing the growth of weeds, and leading to chlorosis and necrosis. It is suitable for the control of annual and perennial grass weeds and broadleaf weeds in forestry.
제조 방법
Sulfometuron-methyl is produced by reaction of 2-sulfonylisocyanate methylbenzoate with 2-amino-4,6-dimethylpyrimidine.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: Sulfometuron methyl is a benzoate ester that is the methyl ester of 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid. It has a role as a herbicide and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is a member of pyrimidines, a benzoate ester and a N-sulfonylurea. It is functionally related to a sulfometuron.
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