Chemical Properties of 1,2,3-Benzotriazin-4(1H)-one (CAS 90-16-4)

InChI

InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)

InChI Key

DMSSTTLDFWKBSX-UHFFFAOYSA-N

Formula

C7H5N3O

SMILES

O=c1nn[nH]c2ccccc12

Molecular Weight¹

147.13

CAS

90-16-4

Other Names

• 1,2,3-Benzotriazin-4(3H)-one
• Benzazimide
• Benzazimidone
• 1,2,3-Benzotriazin-4-ol
• 4-Ketobenz-1,2,3-triazine
• 4-Ketobenztriazine
• USAF MA-2
• 4-Ketobenzotriazine
• Benzoketotriazine
• 3H-1,2,3-Benzotriazin-4-one
• NSC 13563

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 1,2,3-Benzotriazin-4(1H)-one.

Sources

• Cheméo Relay (1.0)
• 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
• McGowan Method
• NIST Webbook

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