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5-ブロモ-2-メチルペント-2-エン
5-ブロモ-2-メチルペント-2-エン · 5-ブロモ-2-メチル-2-ペンテン · 5-ブロモ-2-メチル-2-ペンテン, 97% · 5-BROMO-2-METHYLPENT-2-ENE · NSC 244464 · Homoprenyl bromide · Prenylmethyl bromide · 5-Bromo-2-methyl-2-pentene
識別子と物理属性
| CAS No. | 2270-59-9 |
|---|---|
| 分子式 | C6H11Br |
| 平均分子量 | 163.06 g/mol |
| 単同位体質量 | 162.00441 g/mol |
| SMILES | CC(C)=CCCBr |
| InChIKey | UNXURIHDFUQNOC-UHFFFAOYSA-N |
| PubChem CID | 137521 |
| EC No. | 627-445-9 |
| DTXSID | DTXSID90177230 |
| 現地名 | 5-ブロモ-2-メチルペント-2-エン |
化学・物理的性質
| XLogP | 2.9 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 60 |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| 融点 | -102.35°C (estimate) |
| 沸点 | 152-154 °C (lit.) |
| 密度 | 1.217 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.476(lit.) |
| 引火点 | 73 °F |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | liquid |
| 比重 | 1.217 |
| 溶解度 | 水とわずかに混和する。 |
| 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 |
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 有害性の概要 | 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%) |
| F | 10-23 |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 1993 3/PG 2 |
| 税関コード | 29033990 |
| 危険文句（R） | 10-36/37/38 |
| 危険表示 | Xi |
| hazard_note | Irritant |
| 安全措置（S） | 26-36 |
| 危険等級 | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 3 - Flammable liquids |
用途
用途
有機合成原料。
使用
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.