Chemical Properties of Pyrazon (CAS 1698-60-8)

InChI

InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

InChI Key

WYKYKTKDBLFHCY-UHFFFAOYSA-N

Formula

C10H8ClN3O

SMILES

Nc1cnn(-c2ccccc2)c(=O)c1Cl

Molecular Weight¹

221.64

CAS

1698-60-8

Other Names

• 1-Phenyl-4-amino-5-chloro-6-oxo-(1H)pyridazine
• 1-Phenyl-4-amino-5-chloropyridazin-6-one
• 1-Phenyl-4-amino-5-chlorpyridaz-6-one
• 3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-
• 5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine
• 5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone
• 5-Amino-4-chloro-2-phenyl-3-pyridazinone
• 5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one
• BAS 13033
• Betoxon
• Burex
• Chloridazon
• Chloridazone
• Curbetan
• HS 119-1
• PAC
• PCA
• PCA (pesticide)
• Phenazon
• Phenazone
• Phenazone (herbicide)
• Phenosane
• Pyramin
• Pyramine
• Suzon
• Tripart gladiator

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• 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

Property	Value	Unit	Source
log10WS	-2.88		Estimated Solubility
logPoct/wat	1.468		Crippen Calculated Property
McVol	152.290	ml/mol	McGowan Calculated Property
Tfus	[479.38; 480.20]	K
Tfus	479.38 ± 0.20	K	NIST
Tfus	480.20 ± 0.20	K	NIST

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 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.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Pyrazon.

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
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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