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CAS Number: 94444-96-9
5-methoxy-1H-indazole

Structure

5-methoxy-1H-indazole
Name: 5-methoxy-1H-indazole
Synonyms:
General Information
Product Number: 94444969

CAS Registry Number 94444-96-9
Name:
1H-​Indazole, 5-​methoxy-
5-Methoxy-1H-indazole

 

Chemical Formula: C8H8N2O
Exact Mass: 148.06
Molecular Weight: 148.16
m/z: 148.06 (100.0%), 149.07 (8.8%)

 

InChI:InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)

InChI Key:GZWWDKIVVTXLFL-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)NN=C2

 

Thermal Properties Value Condition Note
Melting Point 170-171 °C   (2)CAS
Melting Point 167.5-168.5 °C   (4)IC
Melting Point 167 °C Solv: benzene (71-43-2) (5)CAS
Melting Point 165.5-166 °C Solv: acetone (67-64-1); ligroine (8032-32-4) (5)CAS
Melting Point 97-99 °C   (1)CAS

Specification

98%

References
  1. (1) Vernekar, Sanjeev Kumar V.; Journal of Medicinal Chemistry 2010, V53(5), P2324-2328 CAPLUS
  2. (2) Crestey, Francois; Synthesis 2006, (20), P3506-3514 CAPLUS
  3. (4) Bartsch, Richard A.; Journal of Heterocyclic Chemistry 1984, V21(4), P1063-4 CAPLUS
  4. (5) Tomita, Masao; Yakugaku Zasshi 1959, V79, P997-1003 CAPLUS
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