Chemical Properties of Coumaphos

InChI

InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3

InChI Key

BXNANOICGRISHX-UHFFFAOYSA-N

Formula

C14H16ClO5PS

SMILES

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

Molecular Weight¹

362.77

Other Names

• 3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate
• 3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester
• 3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate
• 3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate
• 3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate
• 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one
• Agridip
• Asunthol
• Asuntol
• Azunthol
• BAY 21/199
• Bayer 21/199
• Baymix
• Baymix 50
• Co-ral
• Co-ral (Coumaphos)
• Co-ral (phosphate)
• Coumafos
• Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate
• Cumafos
• Diethyl 3-chloro-4-methylumbelliferyl thionophosphate
• Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin
• Diolice
• ENT 17,957
• Koral
• Meldane
• Meldone
• Muscatox
• NA 2783
• NCI-C08662
• Negashunt
• O,O-Diaethyl-O-(3-chlor-4-methyl-cumarin-7-yl)-monothiophosphat
• O,O-Diethyl 3-chloro-4-methyl-7-umbelliferone thiophosphate
• O,O-Diethyl O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)phosphorothioate
• O,O-Diethyl O-(3-chloro-4-methyl-2-oxo-2H-benzopyran-7-yl)phosphorothioate
• O,O-Diethyl O-(3-chloro-4-methyl-7-coumarinyl)phosphorothioate
• O,O-Diethyl O-(3-chloro-4-methylcoumarinyl-7) thiophosphate
• O,O-Diethyl O-(3-chloro-4-methylumbelliferyl)phosphorothioate
• O,O-Diethyl-O-(3-chloor-4-methyl-cumarin-7-yl)monothiofosfaat
• O,O-Diethyl-O-(3-chloro-4-methyl-cumarin-7-yl)monothiofosfaat
• O,O-Dietil-O-(3-chloro-4-metil-cumarin-7-il-monotiofosfato)
• O,O-Dietil-O-(3-cloro-4-metil-cumarin-7-il-monotiofosfato)
• O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate
• O-(3-Chloro-4-methylcoumarin-7-yl) O,O-diethyl phosphorothioate
• O-3-Chloro-4-methyl-7-coumarinyl O,O-diethyl phosphorothioate
• OMS 485
• Perizin
• Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-chloro-7-hydroxy-4-methylcoumarin
• Phosphorothioic acid, O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl ester
• Resistox
• Resitox
• Suntol
• Thiophosphate de O,O-diethyle et de O-(3-chloro-4-methyl-7-coumarinyle)
• Umbethion

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

Physical Properties

Property	Value	Unit	Source
log10WS	[-5.62; -5.38]
log10WS	-5.62		Aq. Solubility Prediction
log10WS	-5.38		Estimated Solubility
logPoct/wat	4.431		Crippen Calculated Property
McVol	243.300	ml/mol	McGowan Calculated Property
Inp	[2654.00; 2654.00]
Inp	2654.00		NIST
Inp	2654.00		NIST
Tfus	368.40 ± 0.10	K	NIST

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 Coumaphos.

Sources

• 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
• 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.
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