Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-Bromo-2-methyl-2-pentene
5-BROMO-2-METHYLPENT-2-ENE · NSC 244464 · Homoprenyl bromide · Prenylmethyl bromide · 5-Bromo-2-methyl-2-pentene · 2-Pentene,5-bromo-2-methyl- · 5-bromo-2-methyl-2-pentylene · 5-Bromo-2-methyl-2-pentene 97%
식별자 및 물리적 특성
| CAS No. | 2270-59-9 |
|---|---|
| 분자식 | C6H11Br |
| 평균 분자량 | 163.06 g/mol |
| 단동위원소 질량 | 162.00441 g/mol |
| SMILES | CC(C)=CCCBr |
| InChIKey | UNXURIHDFUQNOC-UHFFFAOYSA-N |
| PubChem CID | 137521 |
| EC No. | 627-445-9 |
| DTXSID | DTXSID90177230 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 60 |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| 녹는점 | -102.35°C (estimate) |
| 끓는 점 | 152-154 °C (lit.) |
| 밀도 | 1.217 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.476(lit.) |
| 인화점 | 73 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | liquid |
| 비중 | 1.217 |
| 용해도 | 물과 약간 섞임. |
| BRN | 1735749 |
| InChI | InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h4H,3,5H2,1-2H3 |
| InChIKey | UNXURIHDFUQNOC-UHFFFAOYSA-N |
| SMILES | C/C(/C)=C\CCBr |
안전 및 규제
| GHS 분류 | DangerH225 (89.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]H226 (10.9%): 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. |
|---|---|
| 유해성 요약 | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 1-Chloro-2-methyl-1-propene. |
| Hazard Classes and Categories | Flam. Liq. 2 (89.1%)Flam. Liq. 3 (10.9%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 관세 코드 | 29033990 |
| 위험 문구(R) | 10-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 포장분류 | III |
| 위험 등급 | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 | 10-23 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
5-Bromo-2-methyl-2-pentene acts as a synthetic reagent, which is useful in the formation of sesqueterpenoid. It is also employed in the preparation of geranlol-3-14C. Further, it is used in the preparation of penifulvin A, which is a sesquiterpenoid with a novel dioxa-fenestrane structure.