化工社化工社 化学情報印刷レポート · 研究参考用
アシュラム
アシュラム標準品 · アシュラム標準液 · アシュラム · ｐ（Ｎメトキシカルボニルスルファモイル）アニリン · p-（N-メトキシカルボニルスルファモイル）-アニリン · CS_N-11104-250MG_アシュラム · N-[(4-アミノフェニル)スルホニル]カルバミド酸メチル · アスロックスF
識別子と物理属性
| CAS No. | 3337-71-1 |
|---|---|
| 分子式 | C8H10N2O4S |
| 平均分子量 | 230.24 g/mol |
| 単同位体質量 | 230.0361278 g/mol |
| SMILES | COC(=O)NS(=O)(=O)c1ccc(N)cc1 |
| InChIKey | VGPYEHKOIGNJKV-UHFFFAOYSA-N |
| PubChem CID | 18752 |
| ChEMBL | CHEMBL2137678 |
| ChEBI | CHEBI:81696 |
| EC No. | 222-077-1 |
| DTXSID | DTXSID8023890 |
| 現地名 | アシュラム |
化学・物理的性質
| XLogP | -0.3 |
|---|---|
| 極性表面積 | 107 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 3 |
| 重原子数 | 15 |
| 形式電荷 | 0 |
| 複雑度 | 314 |
| SpringerMaterials Properties | Fusion temperature |
| 農薬 | Pesticide -> EPA IRISAgrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, CarbamateEnvironmental transformation -> Pesticides (parent, predecessor)Pesticide (Asulam) -> USDA PDB |
| LogP（分配係数） | log Kow = -0.27 |
| Color/Form | White crystalsColorless crystals |
| 溶解度 | In water, 5.0X10+3 mg/L at 22 °CIn water, 5 g/LSolubility: water, 0.5%Stable in boiling water over 6 hoursFor more Solubility (Complete) data for Asulam (7 total), please visit the HSDB record page.DMSO（微量）、メタノール（微量）5g/L(室温) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/. |
| 融点 | 144.2 °CMP: 143-144 °C (decomposes)142-144°C (dec.) |
| 蒸気圧 | 0.00000144 [mmHg] |
| Physical Description | White solid[Merck Index] |
| Dissociation Constants | pKa = 4.82 |
| Collision Cross Section | 150.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8023890] |
| 密度 | 1.4655 (rough estimate) |
| 屈折率 | 1.5690 (estimate) |
| 貯蔵条件 | 0-6°C |
| pKa（酸解離定数） | 4.82(at 25℃) |
| 色 | ペールブラウンからライトブラウン |
| Merck | 13,862 |
| BRN | 2697523 |
| 主な用途 | 農業環境 |
| InChI | 1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11) |
| InChIKey | VGPYEHKOIGNJKV-UHFFFAOYSA-N |
| SMILES | COC(=O)NS(=O)(=O)c1ccc(N)cc1 |
| LogP（分配係数） | -0.270 |
| NISTの化学物質情報 | Asulam(3337-71-1) |
| EPAの化学物質情報 | Asulam (3337-71-1) |
化学的特性
Light Brown Solid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 4.2% (3 of 71) of reports.WarningH302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Asulam + sodium salt is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Reg. (EU) 1045/2011Asulam: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - Carbamic acid, [(4-aminophenyl)sulfonyl]-, methyl ester: Environment tier I assessment |
| 有害性の概要 | Thyroid follicular hyperplasia observed in male rats at the LOAEL (180 mg/kg/day) following two year chronic feeding studyOther sub-chronic animal studies produced increase in absolute and relative thyroid weightsConsiderable reduction in live births per litter observed in two generation study of rats[Reference #1] A mild skin and moderate eye irritant in rabbitsSolid evidence of skin sensitization in Maximisation testTargets thyroid and erythrocytes in 90 day rat studyThyroid identified as target organ in dogs as wellHematological and histopathological effects consistent with mild anemia noted in chronic rodent studiesAdrenal medullary hyperplasia and limited evidence of carcinogenicity (phaeochromocytoma of higher frequency) observed at highest doses in male rats in chronic studiesMulti-generational rat study produced reduction in litter size (doses >= 5000 ppm)No evidence of teratogenicity, developmental toxicity, or cholinesterase inhibition[EFSA] See Asulam-sodium. |
| Special Reports | USEPA/Office of Prevention, Pesticides and Toxic SubstancesReregistration Eligibility Decision Document - Asulam, EPA 738-R-95-024 (September 1995). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the USA.[Available from, as of July 3, 2018: http://www.epa.gov/pesticides/reregistration/status.htm] |
用途
説明
Asulam is a sulfonamide and can be formulated as a sodium salt. It is very water soluble and is a very systemic herbicide following foliar and root uptake, owing to its physicochemical properties (Table 1). The Log P (Kow) of 1.01 and pKa of 4.82 are optimal for phloem mobility in the plant (4). These properties contribute to the herbicidal effectiveness against perennial weeds where translocation to underground meristematic organs is essential for effective control.
使用
Carbamate herbicide; folic acid biosynthesis inhibitor.