Chemical Properties of Nuarimol (CAS 63284-71-9)

InChI

InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H

InChI Key

SAPGTCDSBGMXCD-UHFFFAOYSA-N

Formula

C17H12ClFN2O

SMILES

OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl

Molecular Weight¹

314.74

CAS

63284-71-9

Other Names

• 5-Pyrimidinemethanol, «alpha»-(2-chlorophenyl)-«alpha»-(4-fluorophenyl)-
• «alpha»-(2-Chlorophenyl)-«alpha»-(4-fluorophenyl)-5-pyrimidinemethanol
• (.+/-.)-2-Chloro-4'-fluoro-«alpha»-(pyrimidin-5-yl)benzhydryl alcohol
• 2-Chloro-4'-fluoro-«alpha»-(pyrimidin-5-yl)benzhydryl alcohol
• 2-Chloro-4'-fluoro-«alpha»-(pyrimidin-5-yl)diphenylmethanol
• EL 228
• EL 2289
• Guantlet
• Murox
• Trimidal
• Trimifruit SC
• Triminol
• Gauntlet
• Tridal
• (.+/-.)-Nuarimol
• 5-(2-chloro-4'-fluorobenzhydryl)-4-hydroxypyrimidine

• 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_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).
• I_np : Non-polar retention indices.
• 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	0.7447		Relay (1.0) Calculated Property
ΔfG°	155.80	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	24.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	3.553		Crippen Calculated Property
McVol	218.950	ml/mol	McGowan Calculated Property
Pc	2551.61	kPa	Relay (1.0-beta) Calculated Property
Inp	[2370.00; 2382.00]
Inp	2370.00		NIST
Inp	2382.00		NIST
Inp	2370.00		NIST
Tboil	634.87	K	Relay (1.0) Calculated Property
Tc	1014.99	K	Relay (1.0) Calculated Property
Tfus	370.93	K	Relay (1.0) Calculated Property
Vc	0.776	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Nuarimol.

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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