化工社化工社 化学情報印刷レポート · 研究参考用
2-アミノベンズイミダゾール
2-アミノベンズイミダゾール · 2-アミノ-1H-ベンゾイミダゾール · 1H-ベンゾイミダゾール-2(3H)-イミン · 1H-ベンゾイミダゾール-2-アミン · 2-アミノベンゾイミダゾール · 2‐アミノベンズイミダゾール · 2-アミノベンジミダゾール · 1H-ベンズイミダゾール-2-アミン
識別子と物理属性
| CAS No. | 934-32-7 |
|---|---|
| 分子式 | C7H7N3 |
| 平均分子量 | 133.15 g/mol |
| 単同位体質量 | 133.06399722 g/mol |
| SMILES | Nc1nc2ccccc2[nH]1 |
| InChIKey | JWYUFVNJZUSCSM-UHFFFAOYSA-N |
| PubChem CID | 13624 |
| ChEMBL | CHEMBL305513 |
| ChEBI | CHEBI:27822 |
| EC No. | 213-280-6 |
| DTXSID | DTXSID1024465 |
| 現地名 | 2-アミノベンズイミダゾール |
化学・物理的性質
| XLogP | 0.9 |
|---|---|
| 極性表面積 | 54.7 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 126 |
| SpringerMaterials Properties | Fusion temperature |
| 農薬 | Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation productsEnvironmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide degradation product |
| 溶解度 | less than 1 mg/mL at 68 °F (NTP, 1992)>20 [ug/mL] (The mean of the results at pH 7.4)<1g/l わずかに溶ける水に溶ける（わずかに）。 |
| 融点 | 435 °F (NTP, 1992)226-230 °C (lit.) |
| Physical Description | Plates (in water)white powder. (NTP, 1992) |
| Ionization Efficiency | Positive3.612.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 126.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID1024465] |
| 沸点 | 235.67°C (rough estimate) |
| 密度 | 1.1873 (rough estimate) |
| 屈折率 | 1.5341 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 外観・状態 | 結晶性粉末、結晶またはフレーク |
| pKa（酸解離定数） | 11.41±0.10(Predicted) |
| 色 | 黄色からベージュまたはライトブラウン |
| BRN | 116525 |
| 主な用途 | 農業環境 |
| InChI | 1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) |
| InChIKey | JWYUFVNJZUSCSM-UHFFFAOYSA-N |
| SMILES | Nc1nc2ccccc2[nH]1 |
| CAS データベース | 934-32-7(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Aminobenzimidazole(934-32-7) |
| EPAの化学物質情報 | 2-Aminobenzimidazole (934-32-7) |
化学的特性
Light yellow to cream or beige powder or flakes. N,N'-o-Phenyleneguanidine [934-32-7], 2-aminobenzimidazole, C7H7N3, Mr 133.15, mp 231 – 232 ℃(decomp.), obtained by cyclization of o-phenylenediamine with cyanogen chloride or cyanamide, is the nucleus for a number of compounds of economic interest.
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 111 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 1H-Benzimidazol-2-amineCommission Regulation No 844/20121H-Benzimidazol-2-amine: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992) |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 2-AMINOBENZIMIDAZOLE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (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. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | 2-AminobenzimidazolePesticide degradation productSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DD5775000 |
| 税関コード | 29339990 |
| 危険文句（R） | 22-36/37/38-43 |
| 化審法 | (5)-462 |
| 危険表示 | Xn |
| 安全措置（S） | 26-36/37/39-22 |
| 危険等級 | Acute Tox. 4 Oral |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
有機合成原料。
用途
ベンズイミダゾール系殺菌剤の分析、研究用。
一般的な説明
Plates (in water); white powder.
製法・合成法
製造方法
Synthesis of 2-aminobenzimidazole: Cyanogen bromide (3.5 g., 0.034 mole) was added in small portions, with shaking, to a suspension of o-phenylenediamine (4.2 g. , 0.34 mole) in water (40 ml), the exothermic reaction mixture was cooled to room temperature and it was stirred for 36hrs. The solution was filtered after standing overnight. Sodium hydroxide (1.4 g., 0.034 mole) in 30 ml of water was then added and the solution was evaporated. The solid thus obtained was filtered and recrystalized from water. Yield 85%, m.p. 228 - 230°C