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CAS Number: 13138-74-4
methyl 4-nitro-1H-pyrrole-2-carboxylate

Structure

 methyl 4-nitro-1H-pyrrole-2-carboxylate
Name: methyl 4-nitro-1H-pyrrole-2-carboxylate
Synonyms:
General Information
Product Number: 13138744
CAS Registry Number: 13138-74-4
Name:
1H-​Pyrrole-​2-​carboxylic acid, 4-​nitro-​, methyl ester
Pyrrole-​2-​carboxylic acid, 4-​nitro-​, methyl ester (6CI,​7CI,​8CI); 4-​Nitro-​1H-​pyrrole-​2-​carboxylic acid methyl ester; Methyl 4-​nitro-​1H-​pyrrole-​2-​carboxylate; Methyl 4-​nitro-​2-​pyrrolecarboxylate; NSC 94955 
 
Chemical Formula: C6H6N2O4
Exact Mass: 170.03
Molecular Weight: 170.12
m/z: 170.03 (100.0%), 171.04 (6.7%), 172.04 (1.0%)
Elemental Analysis: C, 42.36; H, 3.55; N, 16.47; O, 37.62
 
InChI: InChI=1S/C6H6N2O4/c1-12-6(9)5-2-4(3-7-5)8(10)11/h2-3,7H,1H3
InChIKey: BRZNAATZQZPGBQ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CN1)[N+](=O)[O-]
 
Thermal Properties Value Condition Note
Melting Point 197 °C   (2)CAS

Specification

98%
References
  1. (1) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  2. (2) Rinkes, I. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1934, V53, P1167-74 CAPLUS
  3. (3) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  4. (4) Jaramillo, David; WO 2005033077 A1 2005 CAPLUS
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