Chemical Properties of Antipyrine (CAS 60-80-0)

InChI

InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3

InChI Key

VEQOALNAAJBPNY-UHFFFAOYSA-N

Formula

C11H12N2O

SMILES

Cc1cc(=O)n(-c2ccccc2)n1C

Molecular Weight¹

188.23

CAS

60-80-0

Other Names

• 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
• 1,5-Dimethyl-2-phenyl-3-pyrazolone
• 1-Phenyl-2,3-dimethyl-5-pyrazolone
• 1-Phenyl-2,3-dimethylpyrazole-5-one
• 2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one
• 2,3-Dimethyl-1-phenyl-5-pyrazolone
• 3-Antipyrine
• 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-
• Analgesin
• Analgesine
• Anodynin
• Anodynine
• Antipirin
• Antipyrene
• Antipyrin
• Antypirine
• Apirelina
• Azophen
• Azophene
• Dimethyloxychinizin
• Dimethyloxyquinazine
• Fenazon
• Fenazone
• Methozin
• NSC 7945
• Oxydimethylquinazine
• Oxydimethylquinizine
• Parodyne
• Phenazon
• Phenazone
• Phenazone (pharmaceutical)
• Phenazonum
• Phenozone
• Phenylon
• Phenylone
• Pyrazophyl
• Sedatin
• Sedatine

• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[7.40; 7.86]	eV
IE	7.40	eV	NIST
IE	7.86 ± 0.05	eV	NIST
log10WS	[0.48; 0.71]
log10WS	0.71		Estimat...
log10WS	0.48		Rytting...
logPoct/wat	1.484		Crippen Calculated Property
McVol	148.460	ml/mol	McGowan Calculated Property
Inp	[1830.00; 1900.00]
Inp	1847.00		NIST
Inp	1830.00		NIST
Inp	1900.00		NIST
Inp	1895.00		NIST
Inp	1830.00		NIST
Inp	1830.00		NIST
Inp	1848.00		NIST
Inp	1900.00		NIST
I	3082.00		NIST
Tfus	382.00 ± 1.00	K	NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Antipyrine.

Mixtures

• Antipyrine + Carbon dioxide
• Antipyrine + Ethanol
• Antipyrine + Trichloromethane
• Antipyrine + Dimethyl ether

Sources

• Crippen Method
• Measurements for the solid solubilities of antipyrine, 4-aminoantipyrine and 4-dimethylaminoantipyrine in supercritical carbon dioxide
• Measurement and correlation of solid-liquid equilibria for three binaries, ethanol-antipyrine, chloroform-antipyrine, and dimethyl ether-antipyrine
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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