1H-indene-1,3(2H)-dione-4,5,6,7-d4
1,3-Indanedione
CAS: 606-23-5
Molecular Formula: C9H6O2
1H-indene-1,3(2H)-dione-4,5,6,7-d4 - Names and Identifiers
| Name | 1,3-Indanedione |
| Synonyms | 1,3-Dioxoindan 1,3-INDANDIONE 1,3-Indandione 1,3-DIOXOINDANE 1,3-INDANEDIONE 1,3-Indanedione 1,3-HYDRINDENEDIONE 1,3-DIKETOHYDRINDENE 3-hydroxy-1H-inden-1-one 1,3-Indanedione for synthesis 1H-indene-1,3(2H)-dione-4,5,6,7-d4 |
| CAS | 606-23-5 |
| EINECS | 210-109-7 |
| InChI | InChI=1/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-5,10H |
| InChIKey | UHKAJLSKXBADFT-UHFFFAOYSA-N |
1H-indene-1,3(2H)-dione-4,5,6,7-d4 - Physico-chemical Properties
| Molecular Formula | C9H6O2 |
| Molar Mass | 146.14 |
| Density | 1,37 g/cm3 |
| Melting Point | 129-132 °C (lit.) |
| Boling Point | 205.74°C (rough estimate) |
| Flash Point | 133.4°C |
| Water Solubility | Soluble in ethanol, ether, benzene, slightly soluble in water. |
| Vapor Presure | 0.000191mmHg at 25°C |
| Appearance | Solid |
| Color | White to yellow to beige |
| BRN | 1210061 |
| pKa | 8.95±0.20(Predicted) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.5049 (estimate) |
| MDL | MFCD00003779 |
1H-indene-1,3(2H)-dione-4,5,6,7-d4 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R33 - Danger of cumulative effects R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S27 - Take off immediately all contaminated clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| RTECS | NK5070000 |
| TSCA | Yes |
| HS Code | 29143900 |
1H-indene-1,3(2H)-dione-4,5,6,7-d4 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 1, 3-indanedione is a ketone organic compound used as an intermediate in organic synthesis. |
| production method | 1. Production method by diethyl phthalate and ethyl acetate in sodium ethoxide condensation, and then with dilute acid hydrolysis. 2. Preparation Method: In the reaction bottle equipped with stirrer, dropping funnel, reflux condenser (installed calcium chloride drying tube), add diethyl phthalate (2)125g(0.563mol), Metal sodium wire 25g(1.09mol), steam bath heating. A mixture of 122.5g(1.39mol) of dried ethyl acetate and ML of absolute ethanol was added dropwise over about 1.5H, and then the reaction was continued for 6h with stirring. After cooling, 50ml of diethyl ether was added. The precipitated sodium salt was filtered and washed with ethyl acetate. The sodium salt was dissolved in 1.5L of hot water, cooled to 70 °c, and 100ml of sulfuric acid (consisting of 3 parts of sulfuric acid and 1 part of water) was added with vigorous stirring. Cool to 15 °c in an ice-water bath. Suction filtration, water washing, drying at 100 deg C, 1, 3-indanedione (1)58g, yield 71%. Recrystallization from dioxane-benzene (addition of petroleum ether), MP 130 °c. [1] |
Last Update：2024-04-09 21:11:58
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