Chemical Properties of 2-Amino-5-bromo-2'-fluorobenzophenone (CAS 1479-58-9)

InChI

InChI=1S/C13H9BrFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

InChI Key

XCOKDXNGCQXFCV-UHFFFAOYSA-N

Formula

C13H9BrFNO

SMILES

Nc1ccc(Br)cc1C(=O)c1ccccc1F

Molecular Weight¹

294.12

CAS

1479-58-9

Other Names

• 2-Amino-2'-fluoro-5-bromobenzophenone
• Methanone, (2-amino-5-bromophenyl)(2-fluorophenyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	11.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-121.57	kJ/mol	Joback Calculated Property
ΔfusH°	31.50	kJ/mol	Joback Calculated Property
ΔvapH°	74.08	kJ/mol	Joback Calculated Property
log10WS	-4.56		Crippen Calculated Property
logPoct/wat	3.401		Crippen Calculated Property
McVol	177.330	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
Inp	[2079.00; 2090.00]
Inp	2079.00		NIST
Inp	2090.00		NIST
Inp	2079.00		NIST
Tboil	756.97	K	Joback Calculated Property
Tc	1015.29	K	Joback Calculated Property
Tfus	520.25	K	Joback Calculated Property
Vc	0.662	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.43; 487.32]	J/mol×K	[756.97; 1015.29]
Cp,gas	434.43	J/mol×K	756.97	Joback Calculated Property
Cp,gas	445.49	J/mol×K	800.02	Joback Calculated Property
Cp,gas	455.54	J/mol×K	843.08	Joback Calculated Property
Cp,gas	464.68	J/mol×K	886.13	Joback Calculated Property
Cp,gas	472.97	J/mol×K	929.18	Joback Calculated Property
Cp,gas	480.49	J/mol×K	972.24	Joback Calculated Property
Cp,gas	487.32	J/mol×K	1015.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Amino-5-bromo-2'-fluorobenzophenone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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