Benzotriazole

Benzotriazole
Skeletal formula of benzotriazole
Space-filling model of the benzotriazole molecule
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 Edit this at Wikidata
EC Number
  • 202-394-1
RTECS number
  • DM1225000
UNII
  • InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) checkY
    Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N checkY
  • InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
    Key: QRUDEWIWKLJBPS-UHFFFAOYAH
  • n1c2ccccc2[nH]n1
Properties
C6H5N3
Molar mass 119.127 g·mol−1
Appearance White solid
Density 1.36 g/mL[1]
Melting point 100 °C (212 °F; 373 K)[2]
Boiling point 350 °C (662 °F; 623 K)[2]
20 g/L[2]
Acidity (pKa) 8.2[3][4]
Basicity (pKb) > 14[4]
Hazards
GHS labelling:
GHS07: Exclamation markGHS09: Environmental hazard
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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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.[5]

  1. ^ "1H-Benzotriazole (CAS 95-14-7)". Archived from the original on 2020-10-24.
  2. ^ a b c 1H-Benzotriazole Archived September 27, 2007, at the Wayback Machine, SRC PhysProp Database
  3. ^ Katritzky, A. R.; Rachwal S.; Hitchings G. J. (14 January 1991). "Benzotriazole: A novel synthetic auxiliary". Tetrahedron. 47 (16–17): 2683–2732. doi:10.1016/S0040-4020(01)87080-0.
  4. ^ a b Katritzky, A. R. "Adventures with Benzotriazole" (PDF). Lecture presented at various locations in 2002. Florida Center for Heterocyclic Compounds. Archived from the original (PDF) on 26 April 2012. Retrieved 23 November 2011.
  5. ^ "1,2,3-BENZOTRIAZOLE | CAMEO Chemicals | NOAA". cameochemicals.noaa.gov. Retrieved 2023-01-17.