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2-ジシクロヘキシルホスフィノ-2',4',6'-トリイソプロピルビフェニル
2-ジシクロヘキシルホスフィノ-2',4',6'-トリイソプロピルビフェニル · ジシクロヘキシル(2',4',6'-トリイソプロピル-[1,1'-ビフェニル]-2-イル)ホスフィン · 2‐ジシクロヘキシルホスフィノ‐2′,4′,6′‐トリイソプロピルビフェニル · 2-(ジシクロヘキシルホスフィノ)-2',4',6'-トリイソプロピル-1,1'-ビフェニル 【ジョンソン・マッセイ社製造】 · 2-(ジシクロヘキシルホスフィノ)-2',4',6'-トリ-イソプロピル-1,1'-ビフェニル · 2-ジシクロヘキシルホスフィノ-2′,4′,6′-トリイソプロピルビフェニル · X-PHOS, CHEMDOSE™ TABLETS · ジシクロヘキシル2-(2,4,6-トリイソプロピルフェニル)フェニルホスフィン
識別子と物理属性
| CAS No. | 564483-18-7 |
|---|---|
| 分子式 | C33H49P |
| 平均分子量 | 476.7 g/mol |
| 単同位体質量 | 476.35718856 g/mol |
| SMILES | CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1 |
| InChIKey | UGOMMVLRQDMAQQ-UHFFFAOYSA-N |
| PubChem CID | 11155794 |
| EC No. | 611-387-6 |
| DTXSID | DTXSID50457126 |
| 現地名 | 2-ジシクロヘキシルホスフィノ-2',4',6'-トリイソプロピルビフェニル |
化学・物理的性質
| XLogP | 10.1 |
|---|---|
| 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 | 7 |
| 重原子数 | 34 |
| 形式電荷 | 0 |
| 複雑度 | 545 |
| 融点 | 187-190 °C(lit.) |
| 沸点 | 569.8±50.0 °C(Predicted) |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | ベンゼン（微量） |
| 外観・状態 | 粉 |
| 色 | 白い |
| 安定性 | 空気に敏感 |
| InChI | 1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 |
| InChIKey | UGOMMVLRQDMAQQ-UHFFFAOYSA-N |
| SMILES | P(C1CCCCC1)(C1CCCCC1)C1=CC=CC=C1C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C |
| CAS データベース | 564483-18-7(CAS DataBase Reference) |
化学的特性
White crystalline powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 35.2% (38 of 108) of reports.WarningH302+H312+H332 (21.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (26.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (21.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (59.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (59.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (21.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (58.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H413 (25.9%): 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 108 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 38 of 108 reports by companies.There are 13 notifications provided by 70 of 108 reports by companies with hazard statement code(s).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 (26.9%)Acute Tox. 4 (21.3%)Skin Irrit. 2 (59.3%)Eye Irrit. 2 (59.3%)STOT SE 3 (58.3%)Aquatic Chronic 4 (25.9%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | No |
| 税関コード | 29319090 |
| 危険文句（R） | 36/37/38-22-40 |
| 危険表示 | Xn |
| 安全措置（S） | 37/39-26-36/37 |
| 貯蔵分類 | 13 - Non Combustible Solids |
用途
概述
医薬中間体、触媒、C-C,C-N,C-Oカップリング用配位子。
使用
suzuki reaction
一般的な説明
This product has been enhanced for catalytic efficiency.