Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-이소프로필이미다졸
1-이소프로필이미다졸 · 1-Isopropyl-1H-imidazole · -Isopropylimidazole · 1-Isopropylimidazole · 1-Isopropylimidazole>1-(propan-2-yl)-1H-iMidazole · 1-(1-methylethyl)-1H-Imidazole · 1H-Imidazole, 1-(1-methylethyl)-
식별자 및 물리적 특성
| CAS No. | 4532-96-1 |
|---|---|
| 분자식 | C6H10N2 |
| 평균 분자량 | 110.16 g/mol |
| 단동위원소 질량 | 110.08439833 g/mol |
| SMILES | CC(C)n1ccnc1 |
| InChIKey | IPIORGCOGQZEHO-UHFFFAOYSA-N |
| PubChem CID | 10176113 |
| EC No. | 805-859-2 |
| DTXSID | DTXSID4074645 |
| 현지명 | 1-이소프로필이미다졸 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 17.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 70 |
| 끓는 점 | 104°C/7mmHg(lit.) |
| 밀도 | 0.97 |
| 굴절률 | 1.4800 to 1.4840 |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | 7.15±0.20(Predicted) |
| InChI | InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3 |
| InChIKey | IPIORGCOGQZEHO-UHFFFAOYSA-N |
| SMILES | C1N(C(C)C)C=CN=1 |
| EPA | 1H-Imidazole, 1-(1-methylethyl)- (4532-96-1) |
안전 및 규제
| GHS 분류 | DangerH227 (33.3%): Combustible liquid [Warning Flammable liquids]H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (33.3%): 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]P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Flam. Liq. 4 (33.3%)Acute Tox. 4 (33.3%)Skin Irrit. 2 (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (66.7%)STOT SE 3 (33.3%)Aquatic Chronic 3 (33.3%) |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2933998090 |
용도
용도
1-isopropylimidazole (ipim) and 1-phenylimidazole (phim) are derivatives of Antimicrobially inactive imidazole. They could be used for complexation with gold(III) and corresponding complexes [AuCl3(im)], [AuCl3(ipim)] and [AuCl3(phim)] were used as model compounds for the synthesis and structural characterization of analogous gold complexes, [AuCl3(ctz)], [AuCl3(ecz)] [AuCl3(tcz)] and [AuCl3(vcz)], containing clinically used antifungal azoles, clotrimazole (ctz), econazole (ecz), tioconazole (tcz) and voriconazole (vcz)[1].