Parathion (CAS 56-38-2)

InChI

InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

InChI Key

LCCNCVORNKJIRZ-UHFFFAOYSA-N

Formula

C10H14NO5PS

SMILES

CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

291.26

CAS

56-38-2

Other Names

AAT
AATP
AC 3422
ACC 3422
Alkron
Alleron
American Cyanamid 3422
Aphamite
Aralo
B 404
BAY E-605
Bayer E-605
Bladan
Bladan F
Compound 3422
Corothion
Corthion
Corthione
DNTP
DPP
Danthion
Diethoxy, nitro-phenoxy phosphorothioate
Diethyl 4-nitrophenyl phosphorothioate
Diethyl 4-nitrophenyl phosphorothionate
Diethyl p-Nitrophenyl phosphorothionate
Diethyl p-nitrophenyl thionophosphate
Diethyl p-nitrophenyl thiophosphate
Diethyl para-nitrophenol thiophosphate
Diethyl parathion
Drexel parathion 8E
E 605
E 605 FORTE
E 605F
ENT 15,108
ENT 15108
Ecatox
Ecatox 20
Ekatox
Ethlon
Ethyl Parathion
Ethyle-parathion
Etilon
Etylparation
Folidol
Folidol E
Folidol E & E 605
Folidol E-605
Folidol Oil
Fosfermo
Fosferno
Fosfex
Fosfive
Fosova
Fostern
Fostox
Galpar
Gearphos
Genithion
Isotox
Jacutin
Kokotine
Kolphos
Kwell
Kypthion
Lethalaire G-54
Lirothion
Murfos
Murphos
NA 2783
NCI-C00226
NIUIF 100
Niran
Niran E-4
Nitrostigmin
Nitrostigmine
Nitrostygmine
Nourithion
O,O-Diethyl O-(4-nitrophenyl) thiophosphate
O,O-Diethyl O-(p-Nitrophenyl) phosphorothioate
O,O-Diethyl O-(p-nitrophenyl) thionophosphate
O,O-Diethyl O-(p-nitrophenyl) thiophosphate
O,O-Diethyl-O-(4-nitrophenyl) phosphorothioate
O,O-Diethyl-O-p-nitrofenylester kyseliny thiofosforecne
O,O-Dietil-O-(4-nitro-fenil)-monotiofosfato
O,O-diaethyl-O-(4-nitro-phenyl)-monothiophosphat
O,O-diethyl O-4-nitrophenyl phosphorothioate (parathion)
O,O-diethyl-O-(4-nitro-fenil)monothiofosfaat
OMS 19
Oleofos 20
Oleoparaphene
Oleoparathene
Oleoparathion
Orthophos
PAC
Pacol
Panthion
Paradust
Paramar
Paramar 50
Paraphos
Parathene
Parathion A
Parathion mixture
Parathion-aethyl
Parathion-ethyl
Parawet
Penncap E
Pestox plus
Pethion
Phenol, p-nitro-, O-ester with O,O-diethylphosphorothioate
Phoskil
Phosphemol
Phosphenol
Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester
Phosphorothioic acid, O,O-diethyl O-(p-nitrophenyl) ester
Phosphostigmine
RB
Rcra waste number P089
Rhodiasol
Rhodiatox
Rhodiatrox
Rodiatox
S.N.P.
SNP
Selephos
Sixty-three special E.C. insecticide
Soprathion
Stabilized ethyl parathion
Stathion
Strathion
Sulphos
Super Rodiatox
T-47
TOX 47
Thiofos
Thiomex
Thiophos
Thiophos 3422
Thiophos Parathion 4 E.C.
Thiophosphate de O,O-diethyle et de O-(4-nitrophenyle)
Tiofos
Vapophos
Vitrex
Vitrex HGI
diethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane

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).
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).
I_np : Non-polar retention indices.
I : Polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fH°_gas	-468.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log₁₀WS	[-4.66; -4.29]
log₁₀WS	-4.29		Aq. Solubility Prediction
log₁₀WS	-4.66		Estimated Solubility
logP_oct/wat	3.271		Crippen Calculated Property
McVol	199.840	ml/mol	McGowan Calculated Property
I_np	[1935.00; 2008.00]
I_np	1994.00		NIST
I_np	1942.00		NIST
I_np	1956.00		NIST
I_np	1971.00		NIST
I_np	1989.00		NIST
I_np	1961.00		NIST
I_np	2000.00		NIST
I_np	1947.00		NIST
I_np	1946.00		NIST
I_np	1935.00		NIST
I_np	2008.00		NIST
I_np	1962.00		NIST
I_np	1950.00		NIST
I_np	1940.00		NIST
I_np	1975.00		NIST
I_np	1994.00		NIST
I_np	1996.00		NIST
I_np	1941.00		NIST
I_np	1935.00		NIST
I_np	1942.00		NIST
I_np	1989.00		NIST
I_np	1953.00		NIST
I_np	1953.00		NIST
I_np	1942.00		NIST
I_np	2008.00		NIST
I_np	1956.00		NIST
I_np	1940.00		NIST
I_np	1950.00		NIST
I_np	1961.00		NIST
I_np	1935.00		NIST
I	[2967.00; 2967.00]
I	2967.00		NIST
I	2967.00		NIST
T_boil	617.70	K	Relay (1.0) Calculated Property
T_fus	[278.53; 279.40]	K
T_fus	279.25	K	Aq. Solubility Prediction
T_fus	278.53 ± 0.20	K	NIST
T_fus	279.40 ± 0.10	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	15.72	kJ/mol	278.10	NIST
Δ_subH	100.60	kJ/mol	308.00	NIST

Similar Compounds

Phosphorothioic acid, O-(4-aminophenyl) O,O-diethyl ester.

Phosphoric acid, diethyl 4-nitrophenyl ester.

Phosphorothioic acid, O-(3-chloro-4-nitrophenyl) O,O-dimethyl ester.

o-(2-Chloro-4-nitrophenyl) o,o-dimethyl phosphorothioate.

Phosphoric acid, dimethyl 4-nitrophenyl ester.

Phosphorothioic acid, O,O-diethyl O-(p-methylsulfonyl)phenyl ester.

Phosphoric acid, dimethyl 3-methyl-4-nitrophenyl ester.

Phosphonothioic acid, phenyl-, O-ethyl O-(4-nitrophenyl) ester.

Find more compounds similar to Parathion.

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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Chemical Properties of Parathion (CAS 56-38-2)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Sources