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CAS Number: 57338-76-8
2,5-dimethyl-1H-pyrrole-3-carboxylic acid

Structure

2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Name: 2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Synonyms:
General Information
Product Number: 57338768

CAS Registry Number 57338-76-8
Name:
1H-?Pyrrole-?3-?carboxylic acid, 2,?5-?dimethyl-
3-Pyrrolecarboxylic acid, 2,5-dimethyl- (5CI)
2,5-Dimethyl-1H-pyrrole-3-carboxylic acid
2,5-Dimethyl-11H-pyrrole-3-carboxylic acid
2,5-Dimethylpyrrole-3-carboxylic acid
NSC 159223

 

Chemical Formula: C7H9NO2
Exact Mass: 139.06
Molecular Weight: 139.15
m/z: 139.06 (100.0%), 140.07 (7.8%)

 

InChI:InChI=1S/C7H9NO2/c1-4-3-6(7(9)10)5(2)8-4/h3,8H,1-2H3,(H,9,10)

InChI Key:VDVWTJFVFQVCFN-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(N1)C)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 213 °C   (2)CAS
Melting Point 210 °C (decomp) Solv: benzene (71-43-2) (3)CAS
Melting Point 209 °C (decomp) Solv: ethyl ether (60-29-7) (4)CAS
Melting Point 209 °C Solv: ethyl ether (60-29-7) (5)CAS
Melting Point 180-184 °C (decomp)   (1)CAS

Specification

98%

References
  1. (1) Mironov, A. F.; Russian Journal of Organic Chemistry 2005, V41(11), P1654-1656 CAPLUS
  2. (2) Kuster, William; Z. physiol. Chem. 1922, V121, P135-63 CAPLUS
  3. (3) Nicolaus, Rodolfo; Gazzetta Chimica Italiana 1953, V83, P239-51 CAPLUS
  4. (4) Sus, Oskar; Justus Liebigs Annalen der Chemie 1953, V583, P150-60 CAPLUS
  5. (5) Sus, Oskar; DE 949467 1956 CAPLUS
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