2-HYDROXY-9-FLUORENONE CAS#: 6949-73-1; 凯望编码 (ChemWhat Code): 62033
Identification
| 英文名 | 2-HYDROXY-9-FLUORENONE |
| IUPAC Name | 2-hydroxyfluoren-9-one |
| 分子结构 |  |
| CAS编号 | 6949-73-1 |
| EINECS Number | 230-119-5 |
| MDL Number | MFCD00001155 |
| 别名 | 2-hydroxyfluoren-9-one, 2-hydroxy-9H-fluoren-9-one, 2-hydroxy-9-fluorenone, 2-Hydroxyfluorenone, 2-Hydroxyfluorenon, 2-hydroxyfluorenone, 2-hydroxy-fluoren-9-one |
| 分子式 | C13H8O2 |
| 分子量 | 196.201 |
| InChI | InChI=1S/C13H8O2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,14H |
| InChI Key | GXUBPHMYNSICJC-UHFFFAOYSA-N |
| Canonical SMILES | c1ccc2c(c1)-c3ccc(cc3C2=O)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| JP2019/77634 | Production of […] (by machine translation) | 2019 |
| EP2612845 | AROMATIC COMPOUND CONTAINING SPECIFIC BRANCH | 2013 |
| US2005/234031 | Amino-substituted tricyclic derivatives and methods of use | 2005 |
| EP422252 | Method for detecting a substance using chemiluminescence | 1991 |
Physical Data
| Appearance | Yellow to orange powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | 1.5954 (estimate) |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 197 – 199 | |
| 188 – 194 | |
| 211 | ethanol |
| 207 – 208 | aq. ethanol |
| 209 – 211 | xylene |
| 211.5 – 212 | |
| 213.5 – 214.5 | |
| 207 | aq. acetic acid |
| 210 – 211 | aq. acetic acid (50percent) |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | chloroform-d1 | 300 |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 100 |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 400 |
| Chemical shifts, Spectrum | 13C | dimethylsulfoxide-d6 | 100 |
| Chemical shifts | 13C | dimethylsulfoxide-d6 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| Bands, Spectrum | potassium bromide | |
| Bands | CHCl3 | 3300 – 1710 cm**(-1) |
| IR |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) |
| APCI (atmospheric pressure chemical ionization), spectrum | |
| high resolution mass spectrometry (HRMS), electrospray ionisation (ESI), spectrum | |
| spectrum, chemical ionization (CI), positive secondary ions | |
| metastable ions |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | methanol, water | 265 | |
| Spectrum | dichloromethane | 427 | |
| Absorption maxima | |||
| Spectrum | dioxane | 230 – 460 nm |
Route of Synthesis (ROS)
| Conditions | Yield |
| With lithium hydroxide monohydrate; N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; copper dichloride In water; dimethyl sulfoxide at 100℃; for 4h; Reagent/catalyst; | 99.9% |
| With water; sodium hydroxide In ethanol at 90℃; for 6h; Temperature; Solvent; | 83% |
| With tris(6,6′-diamino-2,2′-bipyridine); 4,4-diphenyl-1,3,5,7,8-pentamethyl-2,6-diethyl-4-bora-3a,4a-diaza-s-indacene; Br2Ni*3H2O; water; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide; acetonitrile at 20℃; for 24h; Glovebox; Irradiation; Inert atmosphere; | 71% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.44%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 291450 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Use Pattern |
| Fluorenone and its derivatives have become the main monomer or modifier of a new type of engineering plastics. |
| 2,7-dihydroxy-9-fluorenone, as an important pharmaceutical intermediate and material functional monomer, |
| 2-HYDROXY-9-FLUORENONE CAS#: 6949-73-1 can be used in the pharmaceutical industry to synthesize anti-tumor, sympathetic nerve inhibitors, etc.; |
| 2-HYDROXY-9-FLUORENONE CAS#: 6949-73-1 in agriculture, it can be used to synthesize herbicides and Insecticides, etc.; |
| 2-HYDROXY-9-FLUORENONE CAS#: 6949-73-1 in the plastics industry, it can be used to synthesize bisphenol products as stabilizers and plasticizers in the polymerization process and to prepare functional polymer materials; |
| 2-HYDROXY-9-FLUORENONE CAS#: 6949-73-1 in the field of liquid crystal materials, it can be used to synthesize materials that are prone to mesogenic phenomena New organic compounds. |
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认证生产商 | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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