기본 정보
- CAS
99283-01-9- 표준 SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)O)n1- InChIKey
PPWBRCCBKOWDNB-UHFFFAOYSA-N- 분자식
- C15H16N4O7S
- 평균 분자량
- 396.4 g/mol
- 단동위원소 질량
- 396.07397004
개요
Bensulfuron is an N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an (o-carboxybenzyl)sulfonyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4,6-dimethoxypyrimidin-2-yl group. An acetolactate synthase inhibitor, it is used (particularly as its methyl ester, bensulfuron-methyl) as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor and a herbicide. It is a member of benzoic acids, an aromatic ether, a member of pyrimidines and a N-sulfonylurea.
이름 및 식별자
- 우선 이름
- Bensulfuron
- IUPAC
- 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
- 현지명
- 벤술푸론
- 영어명
- Bensulfuron
- 분자식
- C15H16N4O7S
- 분자량
- 396.38
이름 및 동의어
Bensulfuron99283-01-9Bensulfuron [ISO]2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid1G14TM383F2-((((((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acidUNII-1G14TM383FBensulfuron [MI]2-[[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid; Bensulfuron; Bensulfuron (Free Acid)Bensulfuron (free acid)
이름 더 보기
벤술푸론a-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acidBenzoic acid, 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]-
SCHEMBL20834DTXSID3074949SCHEMBL29386841CHEBI:132880PPWBRCCBKOWDNB-UHFFFAOYSA-NBenzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-NS00005880Q27252370
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 612
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
물리화학적 성질
- 밀도
- 1.524 · 1.524±0.06 g/cm3(Predicted)
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 산도 계수 (pKa)
- 3.59 · 3.59±0.36(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- LogP
- 2.08 · 2.080 (est)
- EPA
- Bensulfuron (99283-01-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information2009/11, Reg. (EU) 2017/555, Reg. (EU) 2022/1480, Reg. (EU) 2023/1757, Reg. (EU) 2026/1421, Reg. (EU) No 540/2011
Hazard Classes and CategoriesSkin Sens. 1 (100%)
안전 데이터
- 기존화학 물질
- KE-11101
화학 및 산업
공급사11 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
重庆卡兰医药有限公司[email protected]
泰安盈顺化工有限公司13854830608; 13854830608 · [email protected]
추가 설명
정의ChEBI: An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an (o-carboxybenzyl)sulfonyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4,6-dimethox pyrimidin-2-yl group. An acetolactate synthase inhibitor, it is used (particularly as its methyl ester, bensulfuron-methyl) as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice.
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