Hydroxybenzotriazole

C6H5N3OCAS 2592-95-2135.13 g/mol

Open in Covalent MOL file
HONNN

Properties

Molecular formula
C6H5N3O
Molar mass
135.13 g/mol
Exact mass
135.0433 Da
Melting point
110 °C
logP
0.67Crippen estimate
Polar surface area
50.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Danger
Explosive (GHS01)

Harmonised EU classification (CLP Annex VI, index 613-285-00-7[1]), via PubChem.

Precautionary statements

P210, P230, P240, P250, P280, P370+P380, P372, P373, P401, P501

Identifiers

CAS number
2592-95-2
SMILES
On1nnc2ccccc21
InChIKey
ASOKPJOREAFHNY-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1H-Benzotriazole, 1-hydroxy-
  • 1-Hydroxy-1H-benzotriazole
  • Benzazimidol
  • 1-Hydroxybenzotriazole
  • 1-Hydroxy-1,2,3-benzotriazole
  • 1H-Benzotriazol-1-ol
  • N-Hydroxybenzotriazole
  • N-Hydroxy-1,2,3-benzotriazole
  • 1-Benzotriazolol
  • HOBt
  • 1H-Benzo[d][1,2,3]triazol-1-ol
  • 1-Hydroxy-1H-1,2,3-benzotriazole
  • 1H-1,2,3-Benzotriazol-1-ol

Work with Hydroxybenzotriazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-9Hydrate 1-Hydroxybenzotriazole hydrate80029-43-2Hydrate

Similar compounds

1-Methylbenzotriazole13351-73-054 % similar 1-Aminobenzotriazole1614-12-654 % similar 1H-Benzotriazole-1-methanol28539-02-853 % similar 6-Chloro-1-hydroxy-1H-benzotriazole26198-19-652 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-252 % similar 1-Hydroxy-7-azabenzotriazole39968-33-750 % similar 1-(Trimethylsilyl)-1H-benzotriazole43183-36-448 % similar 1-Hydroxy-6-(trifluoromethyl)benzotriazole26198-21-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3H,4H-Pyrrolo[2,1-f][1,2,4]triazin-4-one159326-71-3 Furo[2,3-d]pyrimidin-4-amine186454-70-6 4-Hydroxybenzotriazole26725-51-9 Pyrazolo[1,5-a]pyrimidin-5(1H)-one29274-22-4 7-Deazahypoxanthine3680-71-5 9-Deazahypoxanthine5655-01-6 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one6969-71-7 3H-Imidazo[4,5-c]pyridin-2-ol7397-68-4

Elsewhere

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