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CAS Number: 78155-76-7
5-nitro-1H-indazole-3-carboxylic acid

Structure

5-nitro-1H-indazole-3-carboxylic acid
Name: 5-nitro-1H-indazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 78155767
CAS Registry Number: 78155-76-7
Name:
        1H-​Indazole-​3-​carboxylic acid, 5-​nitro-
        5-​Nitro-​1H-​indazole-​3-​carboxylic acid; 5-​Nitroindazole-​3-​carboxylic acid 
 
Chemical Formula: C8H5N3O4
Exact Mass: 207.03
Molecular Weight: 207.14
m/z: 207.03 (100.0%), 208.03 (10.0%), 209.03 (1.2%)
Elemental Analysis: C, 46.39; H, 2.43; N, 20.29; O, 30.90
 
InChI: InChI=1S/C8H5N3O4/c12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
InChIKey: MLTOGNYOQHDCAN-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1[N+](=O)[O-])C(=NN2)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 280 °C Solv: acetic acid (64-19-7) (2)IC
Melting Point 265 °C   (1)IC
 

Specification

98%

References
  1. (1) Tomchin, A. B.; Zhurnal Organicheskoi Khimii 1990, V26(6), P1327-30 CAPLUS
  2. (2) Bistocchi, G. Alunni; Farmaco, Edizione Scientifica 1981, V36(5), P315-33 CAPLUS
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