Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
요오드시클로헥산
아이오도사이클로헥세인 · 요오드시클로헥산 · 1-IODOCYCLOHEXANE · CYCLOHEXYL IODIDE · NSC 6075 · c-C6H11I · IODOCYCLOHEXANE · iodo-cyclohexan
식별자 및 물리적 특성
| CAS No. | 626-62-0 |
|---|---|
| 분자식 | C6H11I |
| 평균 분자량 | 210.06 g/mol |
| 단동위원소 질량 | 209.99055 g/mol |
| SMILES | IC1CCCCC1 |
| InChIKey | FUCOMWZKWIEKRK-UHFFFAOYSA-N |
| PubChem CID | 12289 |
| EC No. | 210-957-8 |
| DTXSID | DTXSID3060821 |
| 현지명 | 요오드시클로헥산 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 46 |
| Physical Description | Pale yellow liquid[Alfa Aesar MSDS] |
| Kovats Retention Index | 10701067.4111714491405 |
| 녹는점 | 52℃ |
| 끓는 점 | 80-81 °C/20 mmHg (lit.) |
| 밀도 | 1.624 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.5441(lit.) |
| 인화점 | 161 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 에탄올, 에테르, 아세톤에 용해됩니다. |
| 물리적 상태 | 액체 |
| 색상 | 클리어 라이트 브라운 |
| BRN | 1900797 |
| 헨리 상수 | 3.9×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| InChI | InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2 |
| InChIKey | FUCOMWZKWIEKRK-UHFFFAOYSA-N |
| SMILES | C1(I)CCCCC1 |
| EPA | Cyclohexane, iodo- (626-62-0) |
화학적 성질
CLEAR LIGHT BROWN LIQUID
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 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. |
|---|---|
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] See Chlorocyclohexane. See Ethyl iodide. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.8%) |
| Threshold Limit Values (TLV) | 0.01 [ppm], inhalable fraction and vapor (iodides) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29038900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| F 고인화성물질 | 8 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Iodocyclohexane has been employed as reagent in demethylation of aryl methyl ethers in DMF under reflux condition.
일반 설명
The photodissociation dynamics of iodocyclohexane has been studied using velocity map imaging. Nickel catalyzed coupling of iodocyclohexane with 1-octyne has been investigated.