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克拉维酸钾
棒酸 · 棒酸钾 · 克拉维酸钾 · 克拉维酸钾盐 · 克克拉维酸钾 · 克拉维酸钾系列 · 克拉维酸纤维素 · 克拉维酸盐杂质
标识与物理属性
| CAS No. | 61177-45-5 |
|---|---|
| 分子式 | C8H8KNO5 |
| 平均分子量 | 237.25 g/mol |
| 单同位素质量 | 237.00395384 g/mol |
| SMILES | O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[K+] |
| InChIKey | ABVRVIZBZKUTMK-JSYANWSFSA-M |
| PubChem CID | 23665591 |
| ChEMBL | CHEMBL1003 |
| ChEBI | CHEBI:85264 |
| EC No. | 262-640-9 |
| DTXSID | DTXSID60210067 |
| 中文名 | 克拉维酸钾 |
化学与物理性质
| 极性表面积 | 89.9 |
|---|---|
| 氢键供体 | 1 |
| 氢键受体 | 5 |
| 可旋转键 | 2 |
| 重原子 | 15 |
| 形式电荷 | 0 |
| 复杂度 | 329 |
| 熔点 | >1600C (dec) |
| 比旋光度 | +55~+60° |
| 储存条件 | Inert atmosphere,2-8°C |
| 溶解性 | Freely soluble in water, slightly soluble in ethanol (96 per cent), very slightly soluble in acetone. |
| 形态 | Solid |
| 颜色 | Light brown to brown |
| 主要应用 | agricultureclinicalenvironmentalforensics and toxicologypharmaceutical (small molecule) |
| InChI | InChI=1/C8H9NO5.K.H/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/s3 |
| InChIKey | ABVRVIZBZKUTMK-JSYANWSFSA-M |
| SMILES | C([C@H]1/C(/O[C@]2([H])CC(=O)N12)=C/CO)(=O)O.[KH] |&1:1,4,r| |
| CAS 数据库 | 61177-45-5(CAS DataBase Reference) |
安全与法规
| GHS 分类 | DangerH228 (100%): Flammable solid [Danger Flammable solids]H252 (74.6%): Self-heating in large quantitiesmay catch fire [Warning Self-heating substances and mixtures]H317 (69.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (23.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (69.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H361 (13.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P210, P233, P235, P240, P241, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P321, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 reports by companies from 9 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 | Potassium clavulanate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Sol. 1 (100%)Self-heat. 2 (74.6%)Skin Sens. 1 (69.5%)Eye Irrit. 2 (23.7%)Resp. Sens. 1 (69.5%)Repr. 2 (13.6%)Flam. Sol. 2 (100%)Self-heat. 2 (100%)Eye Irrit. 2 (100%) |
| 水危害等级（WGK） | 2 |
| RTECS 号 | RN6802700 |
| 储存类别 | 4.2 - Pyrophoric and self-heating hazardous materials |
| 安全说明（S） | 8-16-22-36/37-45-43-26 |
| 海关编码 | 2941900000 |
| 危险品标志 | F,Xn,Xi |
| 危险类别 | Flam. Sol. 2Resp. Sens. 1Self-heat. 2Skin Sens. 1 |
| 危险类别码（R） | 11-42/43-44-36-14 |
| 运输编号（UN） | UN1325 - class 4.1 - PG 2 - Flammable solids, organic, n.o.s., HI: all |
用途与应用
用途
属β-内酰胺酶抑制剂