Molecular properties
- Formula
- C6H4N4O2
- Molar mass
- 164.12 g·mol−1
- Exact mass
- 164.0334 Da
- 7
- PubChem CID
- 80533
Molecule record
4-nitro-2H-benzotriazole
C6H4N4O2
164.12 g/mol
Loading structure
Functional groups
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1H-1,2,3-benzotriazole, 4-nitro-
- 228-579-7
- 4-Nitro-1H-benzotriazole
- 4-Nitrobenzotriazole
- 4-nitro-1H-
- 4-nitro-1H-1,2,3-benzotriazole
- 4-nitro-1h-benzo[d][1,2,3]triazole
- 6299-39-4
Show all 24 synonyms
- 7-NITRO-1H-BENZO[D][1,2,3]TRIAZOLE
- 7-Nitro-1H-benzotriazole
- CS-0043845
- DTXCID70134689
- DTXSID70212198
- EINECS 228-579-7
- MFCD00160033
- MLS000540987
- NCGC00246589-01
- NSC-44657
- NSC44657
- RefChem:100009
- S75GE4B24J
- SMR000126045
- nitro-1h-benzotriazole
- nitrobenzotriazole
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1cccc2n[nH]nc12
- Isomeric SMILES
- C1=CC2=NNN=C2C(=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
- InChIKey
- UTMDJGPRCLQPBT-UHFFFAOYSA-N
- PubChem CID
- 80533
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-nitro-2H-benzotriazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-nitro-2H-benzotriazole; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.