Chemical Properties of Azinphos-ethyl (CAS 2642-71-9)

InChI

InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3

InChI Key

RQVGAIADHNPSME-UHFFFAOYSA-N

Formula

C12H16N3O3PS2

SMILES

CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O

Molecular Weight¹

345.38

CAS

2642-71-9

Other Names

• Phosphorodithioic acid, O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
• Phosphorodithioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one
• Bayer 16259
• Ethyl azinphos
• Ethyl Gusathion
• Ethyl Guthion
• Gusathion ethyl
• Gusathion A
• Gusathion H and K
• Gusation A
• Guthion ethyl
• O,O-Diethyl S(4-oxobenzyltriazine-3-methyl) dithiophosphate
• R 1513
• S-(3,4-Dihydro-4-oxobenzo [d]-[1,2,3]-triazin-3-ylmethyl) OO-diethyl phosphorodithioate
• Athyl-gusathion
• Azinfos-ethyl
• Azinophos-ethyl
• Azinos
• Azinphos-aethyl
• Azinphos-etile
• BAY 16255
• Benzotriazine derivative of an ethyl dithiophosphate
• Bionex
• Cotnion-ethyl
• Crysthion
• O,O-Diaethyl-S-(4-oxobenzotriazin-3-methyl)-dithiophosphat
• O,O-Diaethyl-S-((4-oxo-3H-1,2,3-benzotriazin-3-yl)-methyl)-dithiophosphat
• O,O-Diethyl S-(4-oxobenzotriazino-3-methyl)phosphorodithioate
• O,O-Diethyl-S-(4-oxo-3H-1,2,3-benzotriazine-3-yl)-methyl-dithiophosphate
• O,O-Diethyl-S-((4-oxo-3H-1,2,3-benzotriazin-3-yl)-methyl)-dithiofosfaat
• O,O-Diethyl phosphorodithioate S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one
• O,O-Dietil-S-((4-oxo-3H-1,2,3-benzotriazin-3-il)-metil)-ditiofosfato
• 3,4-Dihydro-4-oxo-3-benzotriazinylmethyl O,O-diethyl phosphorodithioate
• S-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-ylmethyl) O,O-diethyl phosphorodithioate
• ENT 22,014
• Gusathion H
• Gusathion K
• Guthion
• Triazotion
• Azinugec E
• Bay 16259
• Cotnion-ethyl-methyl
• Gusathion K forte
• Gutex
• O,O-Diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl) methyl] phosphorodithioate
• Sepizin L

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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_boilr : Boiling point at reduced pressure (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	0.6680		Relay (1.0) Calculated Property
ΔfG°	100.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-157.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-3.96		Relay (1.0) Calculated Property
logPoct/wat	2.780		Crippen Calculated Property
McVol	237.430	ml/mol	McGowan Calculated Property
Pc	2006.16	kPa	Relay (1.0-beta) Calculated Property
Inp	[2546.00; 2579.00]
Inp	2546.00		NIST
Inp	2579.00		NIST
Inp	2551.00		NIST
Inp	2556.00		NIST
Inp	2553.00		NIST
Inp	2579.00		NIST
Inp	2551.00		NIST
Inp	2553.00		NIST
Inp	2546.00		NIST
Tboil	717.83	K	Relay (1.0) Calculated Property
Tc	953.35	K	Relay (1.0) Calculated Property
Tfus	[324.44; 326.00]	K
Tfus	324.44 ± 0.20	K	NIST
Tfus	326.00	K	NIST
Vc	0.851	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Azinphos-ethyl.

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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