설포메튜론-메틸

Sulfometuron-methyl

HCID 52997CAS 74222-97-2

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

sulfometuron-methylSULFOMETURON METHYL74222-97-2OUSTDTXSID0034936methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoateJLY5D60J1ADPX-5648CHEBI:9348DTXCID8014936Benzoic acid, 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl esterBenzoic acid, 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester
이름 더 보기
설포메튜론-메틸설포메튜론-메틸(SULFOMETURON-METHYL)aa5648Oust[R]dpx5648Oust 75DFOust(Du Pont)Sulfometuron-msulfometuron-me
methyl 2-((4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl)benzoateRefChem:889579277-780-6DPX-T5648Sulfometuron methyl esterCaswell No. 561DAa 5648Sulfometuron-methyl [ISO]

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

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)
화학적 성질 · 1건

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

화학 및 산업

응용 분야 · 1건

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.

공급사50 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
추가 설명 · 1건

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.

관련 반응

36건

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