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

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	2.780		Crippen Calculated Property
McVol	237.430	ml/mol	McGowan 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	2553.00		NIST
Inp	2546.00		NIST
Inp	2551.00		NIST
Tfus	[324.44; 326.00]	K
Tfus	324.44 ± 0.20	K	NIST
Tfus	326.00	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, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Azinphos-ethyl.

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
• Crippen 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.
These property values are available through the Cheméo API. A free account gives you an access key.