벤설프론 메틸
Bensulfuron-methyl
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기본 정보
- CAS
83055-99-6- 표준 SMILES
COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1- InChIKey
XMQFTWRPUQYINF-UHFFFAOYSA-N- 분자식
- C16H18N4O7S
- 평균 분자량
- 410.4 g/mol
- 단동위원소 질량
- 410.08961992
개요
Bensulfuron-methyl is the methyl ester of bensulfuron. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice. It is not licensed for use within the UK. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a herbicide and an agrochemical. It is a methyl ester, an aromatic ether, a member of pyrimidines and a N-sulfonylurea. It is functionally related to a bensulfuron.
이름 및 식별자
- 우선 이름
- Bensulfuron-methyl
- IUPAC
- methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
- 현지명
- 벤설프론 메틸
- 영어명
- Bensulfuron methyl
- 분자식
- C16H18N4O7S
- 분자량
- 410.4
이름 및 동의어
BENSULFURON-METHYL83055-99-6Bensulfuron methylMethyl bensulfuronBensulfuron methyl estermethyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoateDTXSID7024164QWL4I737BLCHEBI:3017DTXCID004164Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-, methyl esterbensulphuron-methyl
이름 더 보기
벤설퓨론-메틸벤설프론메틸벤설퓨론-메틸(BENSULFURON-METHYL)LONDAXmethylalpha-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-o-toluate2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid methyl esterf5384CONDAXC10937MarinerDPX-F5384ESPROCARB(R)
Benzoic acid, 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]-, methyl estermethyl 2-((4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl)benzoatemethyl alpha-((4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-o-toluatemethyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluateRefChem:9168362-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid methyl esterMethyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulphonyl)-o-toluatemethyl 2-(((((4,6-dimethoxypyrimidin-2-yl)carbamoyl)amino)sulfonyl)methyl)benzoate
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 627
실험 및 물리화학적 성질
Pesticides
Pesticide -> EPA IRIS
Pesticide (Bensulfuron methyl) -> USDA PDB
Pesticide
LogP1.37
Collision Cross Section197.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7024164]
물리화학적 성질
- 녹는점
- 185 · 185-188°C
- 밀도
- 1.4087 · 1.4087 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- 0 · 0-6°C
- 용해도
- 아세토니트릴(약간 용해됨), 디클로로메탄(약간 용해됨), DMSO(약간 용해됨)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12.34 · 12.34±0.70(Predicted)
- 색상
- 흰색에서 연한 노란색
- 냄새
- 무취 고체
- BRN
- 7447488 · 7447488
- Henry's Law Constant
- 7 · 7.0×1010 mol/(m3Pa) at 25℃, Armbrust (2000)
- 안정성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1490/2002
Bensulfuron methyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2889
Bensulfuron methyl: HSNO Approval: HSR005351 Approved with controls
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Hazardous to the aquatic environment (Acute) - Category 1
Skin Sens. 1
독성 정보
Target OrgansHepatic
EPA IRIS Information
Londax
Hepatic
2 x 10 ^-1 mg/kg-day
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values
0.2
IRIS Current
화학 및 산업
용도 및 제조
UsesThis is a man-made compound that is used as a pesticide.
응용 분야
용도Bensulfuron methyl (BSM) was the first sulfonylurea herbicide commercialized for use in rice, and it remains the dominant sulfonylurea for broadleaf and sedge weed control in this crop.
상·하류 제품 정보
상류 원료
관련 반응
2건
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