Chemical Properties of Niclosamide (CAS 50-65-7)

InChI

InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)

InChI Key

RJMUSRYZPJIFPJ-UHFFFAOYSA-N

Formula

C13H8Cl2N2O4

SMILES

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O

Molecular Weight¹

327.12

CAS

50-65-7

Other Names

• 2',5-Dichlor-4'-nitro-salizylsaeureanilid
• 2',5-Dichloro-4'-Nitrosalicylanilide
• 2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid
• 2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide
• 5-Chloro-2'-chloro-4'-nitrosalicylanilide
• 5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide
• 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
• 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide (niclosamide)
• Atenase
• BAY 2353
• Bayer 2353
• Bayer 73
• Bayluscid
• Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-
• Cestocid
• Cestocide
• Chemagro 2353
• Devermin
• Devermine
• Dichlosale
• ENT 25823
• Fedal-Telmin
• Fenasal
• HL 2447
• Helmiantin
• Iomesan
• Iomezan
• Lintex
• Mansonil
• Mato
• N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid
• N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide
• N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide
• Nasemo
• Niclocide
• Phenasal
• Radeverm
• Ruby
• Sagimid
• Salicylanilide, 2',5-dichloro-4'-nitro-
• Sulqui
• Tredemine
• Vermitid
• Vermitin
• WR 46234
• Yomesan
• Zestocarp

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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°	72.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.66	kJ/mol	Joback Calculated Property
ΔfusH°	48.58	kJ/mol	Joback Calculated Property
ΔvapH°	102.63	kJ/mol	Joback Calculated Property
log10WS	[-4.70; -4.70]
log10WS	-4.70		Aq. Sol...
log10WS	-4.70		Estimat...
logPoct/wat	3.859		Crippen Calculated Property
McVol	205.830	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Tboil	976.50	K	Joback Calculated Property
Tc	1251.59	K	Joback Calculated Property
Tfus	499.65	K	Aq. Sol...
Vc	0.735	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.33; 603.85]	J/mol×K	[976.50; 1251.59]
Cp,gas	550.33	J/mol×K	976.50	Joback Calculated Property
Cp,gas	559.25	J/mol×K	1022.35	Joback Calculated Property
Cp,gas	567.95	J/mol×K	1068.20	Joback Calculated Property
Cp,gas	576.59	J/mol×K	1114.04	Joback Calculated Property
Cp,gas	585.34	J/mol×K	1159.89	Joback Calculated Property
Cp,gas	594.37	J/mol×K	1205.74	Joback Calculated Property
Cp,gas	603.85	J/mol×K	1251.59	Joback Calculated Property
ΔfusH	[35.98; 40.70]	kJ/mol	[502.20; 505.40]
ΔfusH	35.98	kJ/mol	502.20	NIST
ΔfusH	40.70	kJ/mol	505.40	NIST

Similar Compounds

Find more compounds similar to Niclosamide.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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