1H-Benzotriazole

Base Information

• Chemical Name: 1H-Benzotriazole
• CAS No.: 273-02-9
• Deprecated CAS: 116421-31-9,25377-81-5,27556-51-0,28880-01-5,70644-74-5,94160-69-7,115773-98-3,197463-08-4,83202-91-9,1334724-96-7,152206-50-3,115773-98-3,1334724-96-7,152206-50-3,197463-08-4,27556-51-0,28880-01-5,70644-74-5,83202-91-9,94160-69-7
• Molecular Formula: C6H5 N3
• Molecular Weight: 119.126
• European Community (EC) Number: 202-394-1
• ICSC Number: 1091
• NSC Number: 3058
• UNII: 86110UXM5Y
• DSSTox Substance ID: DTXSID6020147
• Nikkaji Number: J4.709K,J259.309B
• Wikipedia: Benzotriazole
• Wikidata: Q220672
• Metabolomics Workbench ID: 143517
• ChEMBL ID: CHEMBL84963
• Mol file: 273-02-9.mol

Synonyms:benzotriazole

Chemical Property of 1H-Benzotriazole

Chemical Property:

• Boiling Point: 276.1°Cat760mmHg
• PKA: 8.38±0.10(Predicted)
• Flash Point: 133.9°C
• PSA: 41.57000
• Density: 1.348g/cm³
• LogP: 0.95790
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.048347172
• Heavy Atom Count: 9
• Complexity: 92.5

Purity/Quality:

99%min ^*data from raw suppliers

2H-BENZOTRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Triazoles
• Canonical SMILES: C1=CC2=NNN=C2C=C1
• Inhalation Risk: Evaporation at 20 °C is negligible; a nuisance-causing concentration of airborne particles can, however, be reached quickly.
• Effects of Short Term Exposure: The substance is irritating to the eyes.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization.