Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-아미노벤즈이미다졸
2-아미노벤즈이미다졸 · 1H-BENZO[D]IMIDAZOL-2-AMINE · 1H-BENZIMIDAZOL-2-AMINE · 2-AMINO-1H-BENZIMIDAZOLE · usafek-4037 · USAF ek-4037 · 2-AMinobenziMi · BenziMidazoloniMide
식별자 및 물리적 특성
| CAS No. | 934-32-7 |
|---|---|
| 분자식 | C7H7N3 |
| 평균 분자량 | 133.15 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 2-아미노벤즈이미다졸 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 54.7 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 126 |
| SpringerMaterials Properties | Fusion temperature |
| 농약 | Pesticides -> Fungicides -> Benzimidazole fungicides -> Transformation productsEnvironmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide degradation product |
| 용해도 | less than 1 mg/mL at 68 °F (NTP, 1992)>20 [ug/mL] (The mean of the results at pH 7.4)<1g/l 약간 용해됨 |
| 녹는점 | 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] |
| 끓는 점 | 235.67°C (rough estimate) |
| 밀도 | 1.1873 (rough estimate) |
| 굴절률 | 1.5341 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | 결정질 분말, 결정 또는 플레이크 |
| pKa(산도 계수) | 11.41±0.10(Predicted) |
| 색상 | 노란색에서 베이지색 또는 연한 갈색 |
| 용해도 | 물에 용해됨(약간 용해됨). |
| BRN | 116525 |
| 주요 응용 | 농업환경 |
| 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 |
| NIST | 2-Aminobenzimidazole(934-32-7) |
| EPA | 2-Aminobenzimidazole (934-32-7) |
화학적 성질
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.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992) |
| 반응성 그룹 | 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%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | 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. |
| 비화재 누출 대응 | 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 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DD5775000 |
| 관세 코드 | 29339990 |
| 위험 문구(R) | 22-36/37/38-43 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36/37/39-22 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
일반 설명
Plates (in water); white powder.
제조 및 합성 방법
제조 방법
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