CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
- CAS NO.：13149-00-3
- Empirical Formula: C8H10O3
- Molecular Weight: 154.16
- MDL number: MFCD00005926
- EINECS: 236-086-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-07-27 17:31:07
What is CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE?
Chemical properties
white to almost white cryst. low melting solid
The Uses of CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
(3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione is a reagent used in the synthesis of Pregabalin (P704800), a GABA analogue used as an anticonvulsant. Also used to prepare P2X7 receptor antagonists.
Purification Methods
It has been obtained by heating the trans-acid or anhydride at 200o. Crystallise it from *C6H6/Et2O or distil it. [Kohler & Jansen J Am Chem Soc 60 2145 1938, Abell J Org Chem 22 769 1957, Beilstein 17 II 452, 17 III/IV 5931.]
Properties of CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
| Melting point: | 32-34 °C(lit.) |
| Boiling point: | 158 °C17 mm Hg(lit.) |
| Density | 1.23 |
| refractive index | 1.4750 (estimate) |
| Flash point: | >230 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Crystalline Low Melting Solid |
| color | White to almost white |
| Sensitive | Moisture Sensitive |
| BRN | 83214 |
| Stability: | Moisture Sensitive |
| CAS DataBase Reference | 13149-00-3(CAS DataBase Reference) |
Safety information for CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P501:Dispose of contents/container to..… |
Computed Descriptors for CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
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