5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
- CAS NO.：253870-02-9
- Empirical Formula: C8H9NO3
- Molecular Weight: 167.16
- MDL number: MFCD06202342
- EINECS: 607-716-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-26 18:04:44
What is 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
Description
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is an important organic intermediate to synthetize substituted pyrrole products.
The Uses of 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is a yellow crystalline substance, mainly used as pharmaceutical intermediates.
The Uses of 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid is useful for the synthesis of 5-Bromo-7-azaindolin-2-one derivatives which possesses in vitro activity against selected cancer cell lines.
Properties of 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
| Melting point: | 283°C(lit.) |
| Boiling point: | 374.9±42.0 °C(Predicted) |
| Density | 1.342±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 5.56±0.50(Predicted) |
| color | Beige |
| Water Solubility | Slightly soluble in water. |
| InChI | InChI=1S/C8H9NO3/c1-4-6(3-10)9-5(2)7(4)8(11)12/h3,9H,1-2H3,(H,11,12) |
| CAS DataBase Reference | 253870-02-9(CAS DataBase Reference) |
Safety information for 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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. P405:Store locked up. |
Computed Descriptors for 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
| InChIKey | YCIHQDVIAISDPS-UHFFFAOYSA-N |
| SMILES | N1C(C=O)=C(C)C(C(O)=O)=C1C |
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