Molecular properties
- Formula
- C6H4BrN3
- Molar mass
- 198.02 g·mol−1
- Exact mass
- 196.9589 Da
- 6
- PubChem CID
- 21707869
Molecule record
4-bromo-2H-benzotriazole
C6H4BrN3
198.02 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1064721-11-4
- 2058157-38-1
- 2H-Benzotriazole, 4-bromo-
- 4-BROMO-1H-1,2,3-BENZOTRIAZOLE
- 4-BROMO-1H-BENZOTRIAZOLE
- 4-Bromo-1H-benzo[d][1,2,3]triazole
- 4-Bromo-2H-1,2,3-benzotriazole
- 4-Bromo-2H-benzo[d][1,2,3]triazole
Show all 24 synonyms
- 4-bromobenzotriazole
- 7-Bromo-1H-1,2,3-benzotriazole
- 7-Bromo-1H-benzo[d][1,2,3]triazole
- 7-Bromo-1H-benzotriazole
- 7-bromanyl-1~{H}-benzotriazole
- 875-196-1
- DNJANJSHTMOQOV-UHFFFAOYSA-N
- DTXSID60617193
- MFCD11226749
- MFCD31640987
- RefChem:545612
- SCHEMBL10588380
- SCHEMBL1672867
- SCHEMBL20479331
- bromo-diazaindole
- bromobenzotriazole
Structure identifiers
- Canonical SMILES
- Brc1cccc2n[nH]nc12
- Isomeric SMILES
- C1=CC2=NNN=C2C(=C1)Br
- InChI
- InChI=1S/C6H4BrN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)
- InChIKey
- DNJANJSHTMOQOV-UHFFFAOYSA-N
- PubChem CID
- 21707869
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-bromo-2H-benzotriazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-bromo-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.