Chemical Properties of Coralox (CAS 321-54-0)

InChI

InChI=1S/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3

InChI Key

FDYMERLIFOUIRZ-UHFFFAOYSA-N

Formula

C14H16ClO6P

SMILES

CCOP(=O)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1

Molecular Weight¹

346.70

CAS

321-54-0

Other Names

• Phosphoric acid, 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl diethyl ester
• Coumarin, 3-chloro-7-hydroxy-4-methyl-, diethyl phosphate
• Coroxon
• Coumaphos O-analog
• Coumaphos oxon
• 3-Chloro-4-methyl-7-coumarinyl diethyl phosphate
• O,O-Di(2-chloroethyl)-7-(3-chloro-4-methylcoumarinyl)phosphate
• Diethyl 3-chloro-4-methyl-7-coumarinyl phosphate
• O,O-Diethyl O-(3-chloro-4-methylcoumarin-7-yl) phosphate
• Phosphoric acid, diethyl ester, ester with 3-chloro-7-hydroxy-4-methylcoumarin
• Co-ral-O-analog
• 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl diethyl phosphate

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Coralox.

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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