2-tert-Butylanthraquinone
Synonym(s):β- tert -Butylanthraquinone;2-(1,1-Dimethylethyl)-9,10-anthracenedione;2-tert -Butyl-9,10-anthraquinone
- CAS NO.：84-47-9
- Empirical Formula: C18H16O2
- Molecular Weight: 264.32
- MDL number: MFCD00001232
- EINECS: 201-531-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-04 19:18:49
What is 2-tert-Butylanthraquinone?
Chemical properties
yellow crystalline powder
The Uses of 2-tert-Butylanthraquinone
2-tert-Butylanthraquinone is used in application of 2-substituted anthraquinone derivatives for the preparation of pharmaceuticals for the treatment of Candida albicans infection.
Properties of 2-tert-Butylanthraquinone
| Melting point: | 98-100 °C (lit.) |
| Boiling point: | 367.55°C (rough estimate) |
| Density | 1.0897 (rough estimate) |
| refractive index | 1.5200 (estimate) |
| solubility | almost transparency in hot Methanol |
| form | powder to crystal |
| color | Light yellow to Yellow to Orange |
| InChI | InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3 |
| CAS DataBase Reference | 84-47-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Anthraquinone, 2-tert-butyl(84-47-9) |
| EPA Substance Registry System | 9,10-Anthracenedione, 2-(1,1-dimethylethyl)- (84-47-9) |
Safety information for 2-tert-Butylanthraquinone
| Signal word | Warning |
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
Computed Descriptors for 2-tert-Butylanthraquinone
| InChIKey | YTPSFXZMJKMUJE-UHFFFAOYSA-N |
| SMILES | C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1C(C)(C)C |
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