Molecular properties
- Formula
- C6H4ClN3
- Molar mass
- 153.57 g·mol−1
- Exact mass
- 153.0094 Da
- 6
- PubChem CID
- 21707868
Molecule record
4-chloro-2H-benzotriazole
C6H4ClN3
153.57 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
- 4-Chloro-3H-1,2,3-benzotriazole
- 4-chloro-1H-1,2,3-benzotriazole
- 4-chlorobenzotriazole
- 67130-04-5
- 7-Chloro-1H-benzo[d][1,2,3]triazole
- 7-chloro-1H-1,2,3-benzotriazole
- 7-chloro-1H-benzotriazole
- 7-chlorobenzotriazole
Show all 24 synonyms
- 882-362-7
- AKOS002391363
- AKOS006372253
- DTXSID00878862
- MFCD11706973
- RefChem:520796
- SBB074313
- SCA13004
- SCHEMBL103967
- SCHEMBL16190662
- SCHEMBL204654
- SCHEMBL7192044
- SCHEMBL8150163
- STL119718
- chloro-benzotriazole
- chlorobenzotriazole
Structure identifiers
- Canonical SMILES
- Clc1cccc2n[nH]nc12
- Isomeric SMILES
- C1=CC2=NNN=C2C(=C1)Cl
- InChI
- InChI=1S/C6H4ClN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)
- InChIKey
- NGKNMHFWZMHABQ-UHFFFAOYSA-N
- PubChem CID
- 21707868
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-chloro-2H-benzotriazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-chloro-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.