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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6155		Relay (1.0) Calculated Property
ΔfG°	252.68	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	161.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-2.88		Estimated Solubility
logPoct/wat	1.468		Crippen Calculated Property
McVol	152.290	ml/mol	McGowan Calculated Property
Pc	4088.87	kPa	Relay (1.0-beta) Calculated Property
Tboil	640.44	K	Relay (1.0) Calculated Property
Tc	961.00	K	Relay (1.0) Calculated Property
Tfus	[479.38; 480.20]	K
Tfus	479.38 ± 0.20	K	NIST
Tfus	480.20 ± 0.20	K	NIST
Vc	0.556	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Pyrazon.

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
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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