Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
6-클로로헥스-1-엔
6-클로로헥스-1-엔 · 6-CHLORO-1-HEXENE · Chloro-1-hex · 6-chloro-1-hexen · 6-chlorohex-1-ene · 5-Hexenyl chloride · 1-Hexene, 6-chloro- · 6-Chloro-1-hexene,97%
식별자 및 물리적 특성
| CAS No. | 928-89-2 |
|---|---|
| 분자식 | C6H11Cl |
| 평균 분자량 | 118.6 g/mol |
| 단동위원소 질량 | 118.054928 g/mol |
| SMILES | C=CCCCCCl |
| InChIKey | BLMIXWDJHNJWDT-UHFFFAOYSA-N |
| PubChem CID | 70233 |
| EC No. | 213-186-5 |
| DTXSID | DTXSID7061304 |
| 현지명 | 6-클로로헥스-1-엔 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 41 |
| Kovats Retention Index | 869 |
| 끓는 점 | 135-136 °C (lit.) |
| 밀도 | 0.896 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.438(lit.) |
| 인화점 | 84 °F |
| 저장 조건 | Flammables area |
| 물리적 상태 | 액체 |
| 비중 | 0.907 |
| 색상 | 무색투명~연황색 |
| 안정성 | 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2 |
| InChIKey | BLMIXWDJHNJWDT-UHFFFAOYSA-N |
| SMILES | ClCCCCC=C |
| EPA | 1-Hexene, 6-chloro- (928-89-2) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (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]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3295 3/PG 2 |
| 관세 코드 | 29032900 |
| 위험 문구(R) | 10-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 16-26-36-37/39 |
| 위험 등급 | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
6-Chloro-1-hexene is used as pharmaceutical intermediate.
일반 설명
6-Chloro-1-hexene is an ω-chloro-1-alkene. It reacts with β-substituted imines in the presence of a rhodium catalyst to afford tri- and tetra-substituted imines. It undergoes cross-coupling reaction in the presence of copper(II) chloride and 1-phenylpropyne.