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CAS Number: 4498-72-0
1-(1H-indazol-3-yl)ethanone

Structure

1-(1H-indazol-3-yl)ethanone
Name: 1-(1H-indazol-3-yl)ethanone
Synonyms:
General Information
Product Number: 4498720

CAS Registry Number 4498-72-0
Name:
Ethanone, 1-​(1H-​indazol-​3-​yl)​-
Ketone, 1H-indazol-3-yl methyl (6CI)
1-(1H-Indazol-3-yl)ethanone
3-Acetylindazole

 

Chemical Formula: C9H8N2O
Exact Mass: 160.06
Molecular Weight: 160.17
m/z: 160.06 (100.0%), 161.07 (9.9%)

 

InChI:InChI=1S/C9H8N2O/c1-6(12)9-7-4-2-3-5-8(7)10-11-9/h2-5H,1H3,(H,10,11)

InChI Key:BJEQUPDOOXOTLG-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=NNC2=CC=CC=C21

 

Thermal Properties Value Condition Note
Melting Point 184-186 °C   (1)CAS
Melting Point 182-185 °C   (4)CAS
Melting Point 182 °C   (5)CAS
Melting Point See full text   (6)CAS

Specification

98%

References
  1. (1) Crestey, Francois; Tetrahedron 2007, V63(2), P419-428 CAPLUS
  2. (4) Bhatt, Aaditya; European Journal of Medicinal Chemistry 2011, V46(10), P5138-5145 CAPLUS
  3. (5) Meisenheimer, Jakob; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1924, V57B, P1715-23 CAPLUS
  4. (6) Piozzi, Franco; Gazzetta Chimica Italiana 1965, V95(7), P814-24 CAPLUS
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