Basic information
- Name:
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
- CAS No.:
253870-02-9
- Molecular Structure:
- Formula:
- C8H9NO3
- Molecular Weight:
- 167.16
- Synonyms:
- 5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid;3,5-Dimethyl-2-formylpyrrole-4-carboxylic acid;1H-Pyrrole-3-carboxylicacid, 5-formyl-2,4-dimethyl-;
- Density:
- 1.343 g/cm3
- Boiling Point:
- 374.873 °C at 760 mmHg
- Flash Point:
- 180.517 °C
- Hazard Symbols:
Xi
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Chemistry
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IUPAC Name: 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Molecular Formula: C8H9NO3
Molecular Weight: 167.16 g/mol
Canonical SMILES: CC1=C(NC(=C1C(=O)O)C)C=O
InChI: InChI=1S/C8H9NO3/c1-4-6(3-10)9-5(2)7(4)8(11)12/h3,9H,1-2H3,(H,11,12)
Product Categories: Pharmaceutial intermediates; Pyrrole&Pyrrolidine & Pyrroline; Intermediate of sunitinib malate
Index of Refraction: 1.625
Molar Refractivity: 44.019 cm3
Molar Volume: 124.502 cm3
Polarizability: 17.45×10-24 cm3
Surface Tension: 61.995 dyne/cm
Density: 1.343 g/cm3
Flash Point: 180.517 °C
Enthalpy of Vaporization: 65.65 kJ/mol
Boiling Point: 374.873 °C at 760 mmHg
Vapour Pressure of 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CAS NO.253870-02-9): 0 mmHg at 25 °C
Uses
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CAS NO.253870-02-9) is used as the intermediate of Sunitinib.
Safety Profile
Hazard Codes of 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CAS NO.253870-02-9): 
Xi
Specification
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CAS NO.253870-02-9), its Synonyms are 3,5-Dimethyl-2-formylpyrrole-4-carboxylic acid ; 5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid ; 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxy acid ; 5-Formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid 98% . It is yellow crystal powder.
