Benzotriazole

Benzotriazole (BTA) is a heterocyclic compound with the chemical formula C6H5N3. Its five-membered ring contains three consecutive nitrogen atoms. This bicyclic compound may be viewed as fused rings of the aromatic compounds benzene and triazole. This white-to-light tan solid has a variety of uses, for instance, as a corrosion inhibitor for copper.

Benzotriazole
Names
Preferred IUPAC name
1H-1,2,3-Benzotriazole
Other names
1H-Benzotriazole; 1,2,3-Benzotriazole; BTA; BtaH
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.002.177
EC Number
  • 202-394-1
PubChem CID
RTECS number
  • DM1225000
UNII
  • InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) Y
    Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Y
  • InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
    Key: QRUDEWIWKLJBPS-UHFFFAOYAH
SMILES
  • n1c2ccccc2[nH]n1
Properties
C6H5N3
Molar mass 119.127 g·mol−1
Appearance White solid
Density 1.36 g/mL
Melting point 100 °C (212 °F; 373 K)
Boiling point 350 °C (662 °F; 623 K)
20 g/L
Acidity (pKa) 8.2
Basicity (pKb) > 14
Hazards
GHS labelling:
Warning
H302, H319, H332, H411, H412
P261, P264, P270, P271, P273, P280, P301+P312, P304+P312, P304+P340, P305+P351+P338, P312, P330, P337+P313, P391, P501
Related compounds
Related compounds
 Benzimidazole, Tolyltriazole
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references
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