Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5,6-디메틸벤즈이미다졸
5,6-디메틸벤즈이미다졸 · dimethylbenzimidazole · 5,6-DiMethyl-1H-benzo[d]iMidazole · dimedazol · 5,6-DIMETHYL-1H-BENZIMIDAZOLE · C03114 · 5,6-DBI · dimesol
식별자 및 물리적 특성
| CAS No. | 582-60-5 |
|---|---|
| 분자식 | C9H10N2 |
| 평균 분자량 | 146.19 g/mol |
| 단동위원소 질량 | 146.08439833 g/mol |
| SMILES | Cc1cc2nc[nH]c2cc1C |
| InChIKey | LJUQGASMPRMWIW-UHFFFAOYSA-N |
| PubChem CID | 675 |
| ChEMBL | CHEMBL351132 |
| ChEBI | CHEBI:15890 |
| EC No. | 209-488-1 |
| DTXSID | DTXSID70870631 |
| 현지명 | 5,6-디메틸벤즈이미다졸 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 28.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 146 |
| LogP(분배 계수) | 2.351.854 |
| 녹는점 | 205.5205.5 °C202-205 °C (lit.) |
| Physical Description | Solid |
| Collision Cross Section | 129.9 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]130.3 Ų [M+H]+ [CCS Type: DT127.73 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]129.9 Ų [M+H]+ [CCS Type: DT130 Ų [M-H]-130.4 Ų [M+H]+ |
| 끓는 점 | 255.81°C (rough estimate) |
| 밀도 | 1.0976 (rough estimate) |
| 굴절률 | 1.5600 (estimate) |
| 저장 조건 | Store below +30°C. |
| 용해도 | 에탄올(50mg/ml)에 용해됩니다. |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 13.48±0.30(Predicted) |
| 색상 | 라이트 베이지 |
| 용해도 | 녹는 |
| Merck | 14,3236 |
| BRN | 116595 |
| InChI | 1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) |
| InChIKey | LJUQGASMPRMWIW-UHFFFAOYSA-N |
| SMILES | Cc1cc2nc[nH]c2cc1C |
| EPA | 1H-Benzimidazole, 5,6-dimethyl- (582-60-5) |
화학적 성질
light beige powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 6 reports by companies.There are 2 notifications provided by 3 of 6 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Status: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21166 |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (16.7%)Aquatic Chronic 3 (33.3%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DD8280000 |
| 관세 코드 | 29339990 |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 11 - Combustible Solids |