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CAS Number: 6265-91-4
5-nitro-1H-benzo[d]imidazol-2-amine

Structure

5-nitro-1H-benzo[d]imidazol-2-amine
Name: 5-nitro-1H-benzo[d]imidazol-2-amine
Synonyms:
General Information
Product Number: 6265-91-4

CAS Registry Number 6232-92-4
Name:
1H-?Benzimidazol-?2-?amine, 6-?nitro-
1H-Benzimidazol-2-amine, 5-nitro- (9CI)
Benzimidazole, 2-amino-5(or 6)-nitro- (7CI)
Benzimidazole, 2-amino-5-nitro- (8CI)
6-Nitro-1H-benzimidazol-2-amine
2-Amino-5-nitrobenzimidazole

 

Chemical Formula: C7H6N4O2
Exact Mass: 178.05
Molecular Weight: 178.15
m/z: 178.05 (100.0%), 179.05 (9.1%)

 

InChI:InChI=1S/C7H6N4O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H3,8,9,10)

InChI Key:HSEDDANFWUMVCY-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)N

 

Thermal Properties Value Condition Note
Melting Point 222-223 °C (decomp)   (5)CAS
Melting Point 222-223 °C Solv: acetic acid (64-19-7) (6)IC
Melting Point 213-215 °C   (4)CAS
Melting Point 211-212 °C   (7)IC
Melting Point 207-210 °C Solv: methanol (67-56-1) (8)CAS

Specification

98%

References
  1. (4) Starcevic, Kristina; Heterocycles 2006, V68(11), P2285-2299 CAPLUS
  2. (5) Berg, S. S.; Journal of the Chemical Society 1961, P5275-84 CAPLUS
  3. (6) Schulze, Juergen; Zeitschrift fuer Chemie 1980, V20(12), P436-7 CAPLUS
  4. (7) Alcalde, E.; European Journal of Medicinal Chemistry 1990, V25(4), P309-19 CAPLUS
  5. (8) Mohanazadeh, Farajollah; Chinese Journal of Chemistry 2011, V29(5), P1055-1058 CAPLUS
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