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叔戊醇钠
叔戊醇钠 · 叔戊氧基钠 · 叔戊醇 钠盐 · 叔戊醇钠晶体 · 叔戊醇钠 溶液 · 叔戊醇钠,95% · 叔戊醇钠 250G · 叔戊醇钠(STA)
标识与物理属性
| CAS No. | 14593-46-5 |
|---|---|
| 分子式 | C5H11NaO |
| 平均分子量 | 110.13 g/mol |
| 单同位素质量 | 110.07075925 g/mol |
| SMILES | CCC(C)(C)[O-].[Na+] |
| InChIKey | CGRKYEALWSRNJS-UHFFFAOYSA-N |
| PubChem CID | 2733478 |
| EC No. | 238-639-4 |
| DTXSID | DTXSID4044583 |
| 中文名 | 叔戊醇钠 |
化学与物理性质
| 极性表面积 | 23.1 |
|---|---|
| 氢键供体 | 0 |
| 氢键受体 | 1 |
| 可旋转键 | 1 |
| 重原子 | 7 |
| 形式电荷 | 0 |
| 复杂度 | 43 |
| 熔点 | 200°C |
| 密度 | 0.904 g/mL at 25 °C |
| 蒸气压 | 0-0Pa at 20-50℃ |
| 折射率 | n20/D1.415 |
| 闪点 | -21 °C |
| 储存条件 | Flammables + water-Freezer (-20°C)e area |
| 形态 | Powder |
| 颜色 | Cream or light tan |
| 比重 | 0.91 |
| 溶解性 | Reacts with water. |
| 敏感性 | Air & Moisture Sensitive |
| 水解敏感性 | 7: reacts slowly with moisture/water |
| BRN | 3983987 |
| InChI | 1S/C5H11O.Na/c1-4-5(2,3)6/h4H2,1-3H3/q-1+1 |
| InChIKey | CGRKYEALWSRNJS-UHFFFAOYSA-N |
| SMILES | [Na+].CCC(C)(C)[O-] |
| CAS 数据库 | 14593-46-5(CAS DataBase Reference) |
| EPA化学物质信息 | 2-Butanol, 2-methyl-, sodium salt (14593-46-5) |
安全与法规
| GHS 分类 | DangerH228 (82.1%): Flammable solid [Danger Flammable solids]H251 (88.4%): Self-heatingmay catch fire [Danger Self-heating substances and mixtures]H312+H332 (16.5%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermalacute toxicity, inhalation]H312 (68.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (69.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (68.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (68.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P235, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P362+P364, P363, P370+P378, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 224 reports by companies from 13 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. |
|---|---|
| 法规信息 | Chemical: 2-Butanol, 2-methyl-, sodium saltPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10166 |
| Hazard Classes and Categories | Flam. Sol. 1 (82.1%)Self-heat. 1 (88.4%)Acute Tox. 4 (68.8%)Skin Corr. 1B (100%)Eye Dam. 1 (69.6%)STOT SE 3 (68.8%) |
| F | 10-21 |
| 水危害等级（WGK） | 1 |
| TSCA 清单状态 | TSCA listed |
| 包装类别 | II |
| 危险类别 | 4.1Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Dam. 1Flam. Sol. 1Self-heat. 1Skin Corr. 1BSTOT SE 3 |
| 储存类别 | 4.2 - Pyrophoric and self-heating hazardous materials |
| 安全说明（S） | 6-22-33-36/37/39-7/8-45-43C-26-16-43-62 |
| 海关编码 | 29051990 |
| 危险品标志 | F,C |
| 危险类别码（R） | 11-14/15-35-14-40-37-19-67-65-48/20-63 |
| 运输编号（UN） | UN 3206 4.2/PG 2 |
用途与应用
用途
叔戊醇钠 (NaOt-Am) 是醇脱氧氰胺化和仲胺 N-氰化中常用的碱, 叔戊醇钠是酮烷基化的有效碱。 可用于制备复合还原剂，将1-卤代萘和取代卤代苯还原成相应的萘和苯。
用途
叔戊醇钠用于制作医药中间体。
用途
用于医药原料的有机合成