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CAS Number: 39604-60-9
1H-pyrrole-2,5-dicarbaldehyde

Structure

1H-pyrrole-2,5-dicarbaldehyde
Name: 1H-pyrrole-2,5-dicarbaldehyde
Synonyms:
General Information
Product Number: 39604609

CAS Registry Number 39604-60-9
Name:
1H-​Pyrrole-​2,​5-​dicarboxaldehyde
2,5-Diformylpyrrole
2,5-Pyrroledialdehyde
Pyrrole-2,5-dicarboxaldehyde

 

Chemical Formula: C6H5NO2
Exact Mass: 123.03
Molecular Weight: 123.11
m/z: 123.03 (100.0%), 124.04 (6.6%)

 

InChI:InChI=1S/C6H5NO2/c8-3-5-1-2-6(4-9)7-5/h1-4,7H

InChI Key:MKVBQBLIGAFRIY-UHFFFAOYSA-N

Canonical SMILES:C1=C(NC(=C1)C=O)C=O

 

Thermal Properties Value Condition Note
Melting Point 124-125 °C   (3)IC
Melting Point 123-124 °C Solv: water (7732-18-5); toluene (108-88-3) (4)IC
Melting Point 121-122 °C   (5)CAS
Melting Point 121-122 °C   (6)IC
Melting Point 121 °C   (7)IC
Melting Point 120-122 °C   (2)CAS
Melting Point 118-120 °C Solv: hexane (110-54-3) (8)IC
Melting Point 70-75 °C (sublm) Press: 0.05 Torr (7)IC

Specification

98%

References
  1. (2) Knizhnikov, V. A.; Russian Journal of Organic Chemistry 2007, V43(6), P855-860 CAPLUS
  2. (3) Bergman, Jan; Tetrahedron 1980, V36(17), P2505-11 CAPLUS
  3. (4) Miller, Raya; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry 1981, VB35(4), P303-4 CAPLUS
  4. (5) Kumar, Sunil; Organic Chemistry: An Indian Journal 2011, V7(3), P148-154 CAPLUS
  5. (6) Bray, Brian L.; Helvetica Chimica Acta 1988, V71(8), P2053-7 CAPLUS
  6. (7) Severin, Theodor; Chemische Berichte 1975, V108(5), P1768-75 CAPLUS
  7. (8) Muchowski, Joseph M.; Tetrahedron Letters 1988, V29(7), P777-80 CAPLUS
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