基本情報
- CAS
99283-01-9- 標準SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)O)n1- InChIKey
PPWBRCCBKOWDNB-UHFFFAOYSA-N- 分子式
- C15H16N4O7S
- 平均分子量
- 396.4 g/mol
- 単同位体質量
- 396.07397004
概要
Bensulfuron is an N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an (o-carboxybenzyl)sulfonyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4,6-dimethoxypyrimidin-2-yl group.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.
名称と識別子
- 優先名称
- Bensulfuron
- IUPAC
- 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
- 現地名
- メチルα－（４，６－ジメトキシピリミジン－２－イルカルバモイルスルファモイル）－ｏートルアート
- 英語名
- Bensulfuron
- 分子式
- C15H16N4O7S
- 分子量
- 396.38
名称と別名
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)
名称をさらに表示
メチルα－（４，６－ジメトキシピリミジン－２－イルカルバモイルスルファモイル）－ｏートルアートベンスルフロン2-[[[[[(4,6-ジメトキシピリミジン-2-イル)アミノ]カルボニル]アミノ]スルホニル]メチル]安息香酸2-[({[(4,6-ジメトキシピリミジン-2-イル)カルバモイル]アミノ}スルホニル)メチル]安息香酸a-[(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
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 165 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 9
- 回転可能結合数
- 7
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 612
実験および物理化学的性質
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
物理化学的性質
- 比重(密度)
- 1.524 · 1.524±0.06 g/cm3(Predicted)
- 溶解性
- DMSO (Slightly), Methanol (Slightly, Heated)
- 酸解離定数(Pka)
- 3.59 · 3.59±0.36(Predicted)
- 外見
- Solid
- 色
- White to Off-White
- LogP
- 2.08 · 2.080 (est)
- EPAの化学物質情報
- Bensulfuron (99283-01-9)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H317
化学と産業
サプライヤー11 社
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]
補足説明
定義ChEBI: 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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