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CAS Number: 500011-86-9
3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid

Structure

3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
Name: 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 500011869

CAS Registry Number 500011-86-9
Name:
1H-​Pyrazole-​5-​carboxylic acid, 3-​bromo-​1-​(3-​chloro-​2-​pyridinyl)​-
3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid

 

Chemical Formula: C9H5BrClN3O2
Exact Mass: 300.93
Molecular Weight: 302.51
m/z: 302.92 (100.0%), 300.93 (77.4%), 304.92 (24.2%), 303.93 (9.9%), 301.93 (7.6%), 305.92 (2.6%), 303.92 (1.1%)

 

InChI:InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)

InChI Key:FORBXGROTPOMEH-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(N=C1)N2C(=CC(=N2)Br)C(=O)O)Cl

 

Thermal Properties Value Condition Note
Melting Point 197-200 °C   (1)CAS
Melting Point 197-200 °C   (2)CAS
Melting Point 197-200 °C   (3)CAS

Specification

98%

References
  1. (1) Dong, Weili; Chinese Journal of Chemistry 2009, V27(3), P579-586 CAPLUS
  2. (2) Xu, Junying; Chinese Journal of Chemistry 2009, V27(10), P2007-2012 CAPLUS
  3. (3) Zhao, Yu; ARKIVOC (Gainesville, FL, United States) 2010, (2), P16-30 CAPLUS
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