化工社化工社 化学情報印刷レポート · 研究参考用
p-ウレイドフェニルアルソン酸
アミビアルソン · アマベバン · アルサンビド · N-(4-アルソノフェニル)尿素 · 4-[(アミノカルボニル)アミノ]フェニルアルソン酸 · 4-(カルバモイルアミノ)フェニルアルソン酸 · カルバルソヌム · 4-ウレイドフェニルアルソン酸

識別子と物理属性
| CAS No. | 121-59-5 |
|---|---|
| 分子式 | C7H9AsN2O4 |
| 平均分子量 | 260.08 g/mol |
| 単同位体質量 | 259.977826 g/mol |
| SMILES | NC(=O)Nc1ccc([As](=O)(O)O)cc1 |
| InChIKey | WWXBHTZSYYGCSG-UHFFFAOYSA-N |
| PubChem CID | 8480 |
| ChEMBL | CHEMBL1331366 |
| ChEBI | CHEBI:94806 |
| EC No. | 204-484-6 |
| DTXSID | DTXSID4020246 |
| 現地名 | p-ウレイドフェニルアルソン酸 |
化学・物理的性質
| 極性表面積 | 113 |
|---|---|
| 水素結合供与体数 | 4 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 2 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 256 |
| 溶解度 | 1 to 10 mg/mL at 71.1 °F (NTP, 1992)DMSO (Slightly), Methanol (Slightly, Sonicated) |
| 融点 | 345 °F (NTP, 1992)174° |
| Physical Description | Carbarsone appears as white powder or solid. (NTP, 1992) |
| 外観・状態 | 個体 |
| pKa(酸解離定数) | 3.78±0.10(Predicted) |
| 安定性 | Hygroscopic |
| InChI | InChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14) |
| InChIKey | WWXBHTZSYYGCSG-UHFFFAOYSA-N |
| SMILES | C1([As](O)(O)=O)=CC=C(NC(N)=O)C=C1 |
| EPAの化学物質情報 | Carbarsone (121-59-5) |
安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Restricted substance: Carbarsone |
| その他の安全情報 | IMAP assessments - Arsonic acid, [4-[(aminocarbonyl)amino]phenyl]-: Environment tier I assessment |
| 輸送ラベル(DOT) | Poison |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms associated with arsenic compounds include irritation of the gastrointestinal tract, nausea, vomiting and diarrhea. In extreme cases, there may be blood in the vomitus and stool, rapid weak pulse, collapse, coma and death. |
| 反応性グループ | Amides and Imides |
| Reactivity Profile | An acidic salt of an amide. Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions. |
| Air and Water Reactions | Slightly soluble in water. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
用途
使用
insecticide, cholinesterase inhibitor
一般的な説明
White powder or solid.