1-Benzosuberone
Synonym(s):6,7,8,9-Tetrahydro-5-benzocycloheptenone
- CAS NO.：826-73-3
- Empirical Formula: C11H12O
- Molecular Weight: 160.21
- MDL number: MFCD00004144
- EINECS: 212-558-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-06-08 17:06:38
What is 1-Benzosuberone?
Chemical properties
Light yellow liquid
The Uses of 1-Benzosuberone
1-Benzosuberone is used in the synthesis of novel benzosuberone bearing coumarin moieties as potential anticancer agents.
Purification Methods
Purify it by dissolving in toluene, washing with aqueous 5% NaOH, then brine, drying (MgSO4), and distilling. The 2,4-dinitrophenylhydrazone has m 210.5o, 207-208o (from CHCl3/MeOH). The Z-O-Picryloxime has m 156-157o (from Me2CO/MeOH), the E-O-picryloxime has m 107o. The oxime has m 106.5-107.5o. [UV: Gilmore & Horton J Am Chem Soc 73 1411 1951, Hedden & Brown J Am Chem Soc 75 3744 1953, Huisgen et al. Chem Ber 90 1844 1957, Beilstein 7 IV 1029.]
Properties of 1-Benzosuberone
| Melting point: | 202 °C |
| Boiling point: | 270 °C (lit.) |
| Density | 1.071 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| BRN | 636823 |
| CAS DataBase Reference | 826-73-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Benzosuberone(826-73-3) |
Safety information for 1-Benzosuberone
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-Benzosuberone
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