Spiro[9H-fluorene-9,9′-[9H]xanthene]-3′,6′-diol CAS#: 4081-00-9; ChemWhat Code: 623328
Identification
| Product Name | Spiro[9H-fluorene-9,9′-[9H]xanthene]-3′,6′-diol |
| IUPAC Name | spiro[fluorene-9,9′-xanthene]-3′,6′-diol |
| Molecular Structure | ![Structure of Spiro[9H-fluorene-9,9'-[9H]xanthene]-3',6'-diol CAS 4081-00-9](https://www.chemwhat.com/wp-content/uploads/2018/02/Structure-of-Spiro9H-fluorene-99-9Hxanthene-36-diol-CAS-4081-00-9.gif) |
| CAS Registry Number | 4081-00-9 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | spiro(fluorene-9,9′-xanthene)-3′,6′-diolspiro[fuoroline-9,9′-(2′,7′-dihydroxyxanthone)]spiro[fluorene-9,9′-(2′,7′-dihydroxyxanthene)]spiro[fluorene-9,9′-(3′,6′-dihydroxyxanthene)]spiro[9H-fluorene-9,9′-xanthene]-3′,6′-diolspiro[fluorene-9,9′-xanthene]-3′,6′-diols-spiro FLBP |
| Molecular Formula | C25H16O3 |
| Molecular Weight | 364.393 |
| InChI | InChI=1S/C25H16O3/c26-15-9-11-21-23(13-15)28-24-14-16(27)10-12-22(24)25(21)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,26-27H |
| InChI Key | ZTQUBBFVYUHQRC-UHFFFAOYSA-N |
| Canonical SMILES | c1ccc2c(c1)-c3ccccc3C24c5ccc(cc5Oc6c4ccc(c6)O)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN111875575 | 3 ‘, 6′ – Di ((4 – vinylbenzyl) oxy) spiro [fluorene -9, 9’ – xanthene] derivative and preparation method thereof (by machine translation) | 2020 |
| JP6016303 | A method of manufacturing a compound having glucoskeleton dihydroxyxanthene dialkylfluorene | 2016 |
Physical Data
| Appearance | Off-white to white Powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 265 | isopropyl alcohol, water |
| 232 | benzene |
| 220 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.65 | 589 | 20 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | 400 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | potassium bromide |
| Description (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Absorption maxima | 419.5 |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of Spiro[9H-fluorene-9,9'-[9H]xanthene]-3',6'-diol CAS 4081-00-9](https://www.chemwhat.com/wp-content/uploads/2018/02/Route-of-Synthesis-ROS-of-Spiro9H-fluorene-99-9Hxanthene-36-diol-CAS-4081-00-9.png)
| Conditions | Yield |
| With SO42-/TiO2 super acid In toluene for 0.416667h; Reagent/catalyst; Microwave irradiation; Green chemistry; | 83% |
| With hydrogenchloride; 1-dodecylthiol In water at 55℃; for 12.5h; Reagent/catalyst; Temperature; Solvent; | 75.6% |
| With hydrogenchloride; 1-dodecylthiol In water at 55 – 60℃; for 8h; | 74% |
| With hydrogenchloride; zinc(II) chloride at 190℃; |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 364.4 |
| logP | 6.172 |
| HBA | 0 |
| HBD | 2 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 49.69 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Spiro[9H-fluorene-9,9′-[9H]xanthene]-3′,6′-diol CAS#: 4081-00-9 is used as an addictive in plastics and rubbers. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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