中文版English

CAS Number: 13138-78-8
1-methyl-4-nitro-1H-pyrrole-2-carboxylic acid

Structure

 1-methyl-4-nitro-1H-pyrrole-2-carboxylic acid
Name: 1-methyl-4-nitro-1H-pyrrole-2-carboxylic acid
Synonyms:
General Information
Product Number: 13138788
CAS Registry Number: 13138-78-8
Name:
1H-​Pyrrole-​2-​carboxylic acid, 1-​methyl-​4-​nitro-
Pyrrole-​2-​carboxylic acid, 1-​methyl-​4-​nitro- (6CI,​7CI,​8CI); 1-​Methyl-​4-​nitro-​1H-​pyrrole-​2-​carboxylic acid; 1-​Methyl-​4-​nitropyrrole-​2-​carboxylic acid 
 
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/c1-7-3-4(8(11)12)2-5(7)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey: GEGNYFQOFWUIFG-UHFFFAOYSA-N
Canonical SMILES : CN1C=C(C=C1C(=O)O)[N+](=O)[O-]
 
Thermal Properties Value Condition Note
Melting Point 204 °C   (6)CAS
Melting Point 199-201 °C   (7)CAS
Melting Point 196-199 °C   (5)IC

Specification

98%
References
  1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  2. (2) Moranta, Concepcio; Synthesis 1999, (3), P447-452 CAPLUS
  3. (3) Cuenca, Francisco; Bioorganic & Medicinal Chemistry Letters 2009, V19(17), P5109-5113 CAPLUS
  4. (4) 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.
  5. (5) Otsuka, Masami; Journal of the American Chemical Society 1990, V112(2), P838-45 CAPLUS
  6. (6) Thomas, Mini; European Journal of Organic Chemistry 2002, (21), P3604-3615 CAPLUS
  7. (7) Anthony, Nahoum G.; Journal of Medicinal Chemistry 2007, V50(24), P6116-6125 CAPLUS
  8. (8) Phillion, Dennis P.; WO 2004099131 A2 2004 CAPLUS
  9. (9) Jaramillo, David; WO 2005033077 A1 2005 CAPLUS
  10. (10) Liu, Yanyan; Journal of Physical Chemistry B 2008, V112(32), P9959-9965 CAPLUS
Contact Us
TEL:  86-17758012822
FAX:  86-571-87759731
E-mail:sales@hzchempro.com
[ CLOSE ]
Copyright(C)2012, Hangzhou Chempro Technology Co., Ltd. All Rights Reserved. Supported by ChemNet ChinaChemNet Toocle Copyright Notice