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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Coralox.

Sources

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

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