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CAS Number: 24807-56-5
3-bromo-5-nitro-1H-1,2,4-triazole

Structure

3-bromo-5-nitro-1H-1,2,4-triazole
Name: 3-bromo-5-nitro-1H-1,2,4-triazole
Synonyms:
General Information
Product Number: 24807565

CAS Registry Number 24807-56-5
Name:
1H-?1,?2,?4-?Triazole, 5-?bromo-?3-?nitro-
1H-1,2,4-Triazole, 3-bromo-5-nitro- (9CI)
s-Triazole, 3-bromo-5-nitro- (8CI)
5-Bromo-3-nitro-1H-1,2,4-triazole
3-Bromo-5-nitro-1,2,4-triazole
3-Nitro-5-bromo-1,2,4-triazole

 

Chemical Formula: C2HBrN4O2
Exact Mass: 191.93
Molecular Weight: 192.96
m/z: 191.93 (100.0%), 193.93 (97.7%), 192.93 (3.7%), 194.93 (2.2%), 194.92 (1.4%)

 

InChI:InChI=1S/C2HBrN4O2/c3-1-4-2(6-5-1)7(8)9/h(H,4,5,6)

InChI Key:XXAMCWVPBITOGA-UHFFFAOYSA-N

Canonical SMILES:C1(=NC(=NN1)[N+](=O)[O-])Br

 

Thermal Properties Value Condition Note
Melting Point 153-154 °C   (1)IC
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Pevzner, M. S.; Khimiya Geterotsiklicheskikh Soedinenii 1979, (4), P550-4 CAPLUS
  2. (2) Thompson, Andrew M.; Journal of Medicinal Chemistry 2009, V52(3), P637-645 CAPLUS
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