Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1H-벤즈아미다졸
벤조이미다졸 · 1H-벤즈아미다졸 · 벤즈이미다졸 · 1H-BENZO[D]IMIDAZOLE · 1H-BENZIMIDAZOLE · Benzimidazol · Benzoimidazole · BZI
식별자 및 물리적 특성
| CAS No. | 51-17-2 |
|---|---|
| 분자식 | C7H6N2 |
| 평균 분자량 | 118.14 g/mol |
| 단동위원소 질량 | 118.05309819 g/mol |
| SMILES | c1ccc2[nH]cnc2c1 |
| InChIKey | HYZJCKYKOHLVJF-UHFFFAOYSA-N |
| PubChem CID | 5798 |
| ChEMBL | CHEMBL306226 |
| ChEBI | CHEBI:41275 |
| EC No. | 200-081-4 |
| DTXSID | DTXSID8024573 |
| 현지명 | 1H-벤즈아미다졸 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 28.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 103 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| pH | Weak base |
| SpringerMaterials Properties | Schoenflies notation |
| 농약 | Pesticides -> FungicidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP(분배 계수) | log Kow= 1.32 |
| Color/Form | RHOMBIC, BIPYRAMIDAL PLATES IN WATERTabular crystalsOthrorombic and monoclinic modifications |
| 용해도 | less than 1 mg/mL at 63 °F (NTP, 1992)Freely soluble in alcohol, sparingly soluble in ether. Practically insoluble in benzene, petroleum ether. One gram dissolves in 2 g boiling xylene. Soluble in aqueous solutions of acids and strong alkalis.In water, 2.01X10+3 mg/l @ 30 °C>17.7 [ug/mL] (The mean of the results at pH 7.4)자일렌: 2g에 1g이 용해됨(끓임)(lit.) |
| 끓는 점 | greater than 680 °F at 760 mmHg (NTP, 1992)>360 °C |
| Decomposition | DANGEROUSWHEN HEATED TO DECOMPOSITION, IT EMITS HIGHLY TOXIC FUMES. |
| 녹는점 | 338 to 342 °F (NTP, 1992)170.5 °C169-171 °C (lit.) |
| 증기압 | 0.0000764 [mmHg] |
| Physical Description | Benzimidazole appears as white tabular crystals. (NTP, 1992)SolidSoluble in hot water[Merck Index] Slightly water solubility = 2 g/L at 20 deg C[ChemIDplus] Off-white or tan powder[MSDSonline] |
| 밀도 | 1.1151 (rough estimate) |
| 굴절률 | 1.5500 (estimate) |
| 인화점 | 360°C |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 결정질 분말 또는 결정 |
| pKa(산도 계수) | 5.532(at 25℃) |
| 색상 | 베이지에서 브라운까지 |
| 용해도 | 난용성 |
| Merck | 14,1081 |
| BRN | 109682 |
| 헨리 상수 | 2.7×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9) |
| InChIKey | HYZJCKYKOHLVJF-UHFFFAOYSA-N |
| SMILES | c1ccc2[nH]cnc2c1 |
| LogP(분배 계수) | 1.320 |
| NIST | 1H-Benzimidazole(51-17-2) |
| EPA | Benzimidazole (51-17-2) |
화학적 성질
Benzimidazole is a sheet-like white crystal, with a temperature of 170 ℃, soluble in water and ethanol. Usually used as template compound in the preparation of molecularly imprinted polymer via electropolymerization and electrodeposition of pyrrole on a pencil graphite electrode,and also used in the preparation of benzimidazolium surfactant, 1-hexadecyl-1H-benzimidazole.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.9% (6 of 153) of reports.WarningH302 (92.8%): 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 153 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1H-BenzimidazoleStatus: Active Update: 09-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/174771H-Benzimidazole: 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 available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits highly toxic fumes. (NTP, 1992) |
| 유해성 요약 | May be an irritant[MSDSonline] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | An amine. Neutralizes acids to form salts plus water. These acid-base reactions are exothermic. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated in combination with strong reducing agents, such as hydrides. May be shock sensitive. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (92.8%) |
| 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. |
용도
용도
벤즈 이미 다졸은 살충제 중간체, 살균제 중간체 및 트리아 졸 살균제로 사용할 수 있습니다.
일반 설명
White tabular crystals.