Chemical Properties of Coumaphos (CAS 56-72-4)

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

CAS

56-72-4

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

• 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	0.7320		Relay (... Calculated Property
ΔfG°	-386.96	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-747.99	kJ/mol	Relay (... Calculated Property
ΔvapH°	109.26	kJ/mol	Relay (... Calculated Property
IE	8.13	eV	Relay (... Calculated Property
log10WS	[-5.62; -5.38]
log10WS	-5.62		Aq. Sol...
log10WS	-5.38		Estimat...
logPoct/wat	4.431		Crippen Calculated Property
McVol	243.300	ml/mol	McGowan Calculated Property
Pc	1690.74	kPa	Relay (... Calculated Property ⚠️
Inp	[2654.00; 2654.00]
Inp	2654.00		NIST
Inp	2654.00		NIST
Tboil	692.52	K	Relay (... Calculated Property
Tc	907.53	K	Relay (... Calculated Property
Tfus	368.40 ± 0.10	K	NIST
Vc	0.894	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Coumaphos.

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
• McGowan Method
• NIST Webbook

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