Chemical Properties of Chlorzoxazone (CAS 95-25-0)

InChI

InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

InChI Key

TZFWDZFKRBELIQ-UHFFFAOYSA-N

Formula

C7H4ClNO2

SMILES

O=c1[nH]c2cc(Cl)ccc2o1

Molecular Weight¹

169.56

CAS

95-25-0

Other Names

• 2(3H)-Benzoxazolone, 5-chloro-
• 2-Benzoxazolinone, 5-chloro-
• 2-Hydroxy-5-chlorobenzoxazole
• 5-Chlorbenzoxazolin-2-on
• 5-Chloro-2-benzoxazolinone
• 5-Chloro-2-benzoxazolol
• 5-Chloro-2-benzoxazolone
• 5-Chloro-2-hydroxybenzoxazole
• 5-Chloro-3(H)-2-benzoxazolone
• 5-Chlorobenzoksazolinon-2
• 5-Chlorobenzoksazolon-2
• 5-Chlorobenzoxazol-2-one
• 5-Chlorobenzoxazolidone
• 5-Chlorobenzoxazolinone
• 5-Chlorobenzoxazolone
• Biomioran
• Chloroxazone
• Chlorzoxazon
• Escoflex
• Flexazone
• Mioran
• Miotran
• Myoflexin
• Myoflexine
• NSC 26189
• Neoflex
• Paraflex
• Parafon Forte DSC
• Pathorysin
• Solaxin
• USAF MA-10

• 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	0.4986		Relay (... Calculated Property
ΔfG°	-87.52	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-252.16	kJ/mol	Relay (... Calculated Property
ΔvapH°	85.55	kJ/mol	Relay (... Calculated Property
IE	8.81	eV	Relay (... Calculated Property
log10WS	[-2.83; -2.66]
log10WS	-2.66		Aq. Sol...
log10WS	-2.83		Estimat...
log10WS	-2.83		Rytting...
logPoct/wat	1.293		Crippen Calculated Property
McVol	104.530	ml/mol	McGowan Calculated Property
Pc	5056.29	kPa	Relay (... Calculated Property ⚠️
Inp	[1714.00; 1728.00]
Inp	1714.00		NIST
Inp	1728.00		NIST
Inp	1728.00		NIST
Tboil	584.39	K	Relay (... Calculated Property
Tc	834.14	K	Relay (... Calculated Property
Tfus	366.27	K	Aq. Sol...
Vc	0.396	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Chlorzoxazone.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.