Chemical Properties of 1H-Benzotriazole, 1-hydroxy- (CAS 2592-95-2)

InChI

InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H

InChI Key

ASOKPJOREAFHNY-UHFFFAOYSA-N

Formula

C6H5N3O

SMILES

On1nnc2ccccc21

Molecular Weight¹

135.12

CAS

2592-95-2

Other Names

• 1-benzotriazolol
• 1-hydroxy-1,2,3-benzotriazole
• 1-hydroxy-1H-benzotriazole
• 1-hydroxybenzotriazole
• 1H-1,2,3-Benzotriazol-1-ol
• 1H-benzotriazol-1-ol
• HOBt
• N-hydroxy-1,2,3-benzotriazole
• N-hydroxybenzotriazole
• benzazimidol

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1H-Benzotriazole, 1-hydroxy-.

Mixtures

• Methyl Alcohol + 1H-Benzotriazole, 1-hydroxy-
• Ethanol + 1H-Benzotriazole, 1-hydroxy-
• 1-Propanol + 1H-Benzotriazole, 1-hydroxy-
• 2-Propanol + 1H-Benzotriazole, 1-hydroxy-
• 2-Butanone + 1H-Benzotriazole, 1-hydroxy-
• Acetone + 1H-Benzotriazole, 1-hydroxy-
• Ethyl Acetate + 1H-Benzotriazole, 1-hydroxy-
• Acetonitrile + 1H-Benzotriazole, 1-hydroxy-
• Toluene + 1H-Benzotriazole, 1-hydroxy-
• 1,4-Dioxane + 1H-Benzotriazole, 1-hydroxy-
• 1-Butanol, 3-methyl- + 1H-Benzotriazole, 1-hydroxy-
• 1-Hexanol + 1H-Benzotriazole, 1-hydroxy-
• 1-Heptanol, 6-methyl- + 1H-Benzotriazole, 1-hydroxy-
• Formamide, N,N-dimethyl- + 1H-Benzotriazole, 1-hydroxy-
• Dimethyl Sulfoxide + 1H-Benzotriazole, 1-hydroxy-

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermodynamic Functions for Solubility of 1-Hydroxybenzotriazole in Sixteen Solvents at Temperatures from (278.15 to 313.15) K and Mixing Property of Mixtures
• McGowan Method
• NIST Webbook

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