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2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯
-二异丙氧基联苯 · 2-双环已基膦-2 '2-环己基膦-2,6-二异丙氧基联苯 · 2-双环已基膦-2 ,6-二异丙氧基联 · 2-二环己基膦-2',6'-二异丙基联苯 · 2-二环己基磷-2',6'-二异丙基联苯 · 2-二环己基膦-2',6'-二异丙氧基联苯 · 2-双环已基膦-2 ',6'-二异丙氧基联苯 · 2-双环己基膦-2 ',6'-二异丙氧基联苯
标识与物理属性
| CAS No. | 787618-22-8 |
|---|---|
| 分子式 | C30H43O2P |
| 平均分子量 | 466.6 g/mol |
| 单同位素质量 | 466.30006761 g/mol |
| SMILES | CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1 |
| InChIKey | MXFYYFVVIIWKFE-UHFFFAOYSA-N |
| PubChem CID | 16217985 |
| EC No. | 616-653-5 |
| DTXSID | DTXSID10584700 |
| 中文名 | 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 |
化学与物理性质
| XLogP | 8.3 |
|---|---|
| 极性表面积 | 18.5 |
| 氢键供体 | 0 |
| 氢键受体 | 2 |
| 可旋转键 | 8 |
| 重原子 | 33 |
| 形式电荷 | 0 |
| 复杂度 | 515 |
| 熔点 | 123-124°C |
| 沸点 | 551.7±40.0 °C(Predicted) |
| 储存条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解性 | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| 形态 | Powder |
| 颜色 | white |
| 敏感性 | Air Sensitive |
| InChI | InChI=1S/C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3 |
| InChIKey | MXFYYFVVIIWKFE-UHFFFAOYSA-N |
| SMILES | P(C1=CC=CC=C1C1=C(OC(C)C)C=CC=C1OC(C)C)(C1CCCCC1)C1CCCCC1 |
安全与法规
| GHS 分类 | WarningH302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (90.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (13.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (90.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (11.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H413 (86.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 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 | Acute Tox. 4 (90.6%)Skin Irrit. 2 (13.2%)Eye Irrit. 2A (13.2%)STOT SE 3 (11.3%)Aquatic Chronic 4 (86.8%) |
| 水危害等级（WGK） | 3 |
| TSCA 清单状态 | No |
| 储存类别 | 13 - Non Combustible Solids |
| 安全说明（S） | 26-36/37/39 |
| 海关编码 | 29310099 |
| 危险品标志 | Xn |
| 危险类别码（R） | 36/37/38-20/21/22 |
用途与应用
简介
2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯为烃类衍生物，可用作有机膦配体。
用途
大位阻膦配体，可用于氨基乙基三氟硼酸酯与缺电子芳基溴的钯催化交叉偶联反应。