2-(2,4,5,7-テトラヨード-3,6,9-トリヒドロキシ-9H-キサンテン-9-イル)-3,4,5,6-テトラクロロ安息香酸γ-ラクトン
4',5',6',7'-テトラクロロ-3,6-ジヒドロキシ-2,4,5,7-テトラヨードスピロ[9H-キサンテン-9,1'(3'H)-イソベンゾフラン]-3'-オン · ソルベントレッド-141 · テトラヨードテトラクロロフルオレセイン · C.I.ソルベントレッド141 · 4,5,6,7-テトラクロロ-3',6'-ジヒドロキシ-2',4',5',7'-テトラヨードスピロ[イソベンゾフラン-1(3H),9'-[9H]キサンテン]-3-オン · テトラヨードテトラクロロフルオレッセイン · 2,4,5,7-テトラヨード-3,6-ジヒドロキシ-4',5',6',7'-テトラクロロスピロ[9H-キサンテン-9,1'(3'H)-イソベンゾフラン]-3'-オン · 3,6-ジヒドロキシ-2,4,5,7-テトラヨード-4',5',6',7'-テトラクロロスピロ[9H-キサンテン-9,1'(3'H)-イソベンゾフラン]-3'-オン
識別子と物理属性
| CAS No. | 4159-77-7 |
|---|---|
| 分子式 | C20H4Cl4I4O5 |
| 平均分子量 | 973.7 g/mol |
| 単同位体質量 | 971.4992 g/mol |
| SMILES | O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 |
| InChIKey | IICCLYANAQEHCI-UHFFFAOYSA-N |
| PubChem CID | 69439 |
| EC No. | 211-182-8 |
| DTXSID | DTXSID0048426 |
| 現地名 | 2-(2,4,5,7-テトラヨード-3,6,9-トリヒドロキシ-9H-キサンテン-9-イル)-3,4,5,6-テトラクロロ安息香酸γ-ラクトン |
化学・物理的性質
| XLogP | 8.5 |
|---|---|
| 極性表面積 | 76 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 0 |
| 重原子数 | 33 |
| 形式電荷 | 0 |
| 複雑度 | 780 |
| 融点 | 280 °C (dec.)(lit.) |
| 貯蔵条件 | room temp |
| 沸点 | 741.8±60.0 °C(Predicted) |
| 密度 | 2.96±0.1 g/cm3(Predicted) |
| pKa（酸解離定数） | 7.03±0.20(Predicted) |
| 外観・状態 | powder |
| 色 | pink to red |
| 主な用途 | 診断アッセイの製造血液学組織学 |
| InChI | 1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H |
| InChIKey | IICCLYANAQEHCI-UHFFFAOYSA-N |
| SMILES | Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1I |
| EPAの化学物質情報 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo- (4159-77-7) |
化学的特性
Bluish-pink powder. Soluble in water.
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 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.This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports. |
|---|---|
| 規制情報 | Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium saltSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium salt: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)Not Classified |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-37/39 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
Rose bengal lactone is a potent inhibitor of human metabolism that binds to the proteasome pathway and inhibits the polymerization of tubulin. It has been shown to bind with high affinity to microtubules and inhibit their assembly, which leads to cell death. Rose bengal lactone also binds with high affinity to potassium ion, which may contribute to its anti-cancer effects. This compound has also been found to be an effective inhibitor of goiters in rats by binding with aliphatic hydrocarbons such as cholesterol.
使用
Biological stain; colorant for inks, cellulosics, foods, cosmetics, medicine (diagnostic aid).
製法・合成法
製造方法
will Resorcinol and 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione condensation, The resulting 4,5,6,7 – tetrachloro-fluorescein tetraiodide.