Chemical Properties of Monocrotophos (CAS 6923-22-4)

InChI

InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+

InChI Key

KRTSDMXIXPKRQR-AATRIKPKSA-N

Formula

SMILES

CNC(=O)C=C(C)OP(=O)(OC)OC

Molecular Weight¹

223.16

CAS

6923-22-4

Other Names

(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate
3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide
3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate
Apadrin
Azodrin
Azodrin 202R
Azodrin insecticide
Azodrin-71
Biloborn
Bilobran
C 1414
CIBA 1414
Corophos
Crisodin
Crisodrin
Croton 36
Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, cis-
Des-N-Methyl dicrotophos
Dimethyl (E)-1-methyl-2-methylcarbamoylvinyl phosphate
Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis
Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide
Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide
Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide
E-Monocrotophos
ENT 27,129
Glore phos 36
Hazodrin
Monocil
Monocil 40
Monocron
Monodrin
Monokrotofosz
Monostar
Nuvacron
Nuvacron-20
O,O-Dimethyl-O-(1-methyl-2-N-methyl-carbamoyl)-vinyl-phosphat
O,O-Dimethyl-O-(2-N-methylcarbamoyl-1-methyl)-vinyl-phosphat
O,O-Dimethyl-O-(2-N-methylcarbamoyl-1-methyl-vinyl) phosphate
O,O-Dimethyl-O-(2-N-methylcarbamoyl-1-methyl-vinyl)-fosfaat
O,O-Dimetil-O-(2-N-metilcarbamoil-1-metil-vinil)-fosfato
OMS 834
Parryfos
Phosphate de dimethyle et de 2-methylcarbamoyl 1-methyl vinyle
Phosphoric acid, dimethyl (1E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl ester
Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester, (E)-
Phosphoric acid, dimethyl ester, ester with (E)-3-hydroxy-N-methylcrotonamide
Phosphoric acid, dimethyl ester, ester with 3-hydroxy-N-methylcrotonamide, (E)-
Phosphoric acid, dimethyl ester, ester with cis-3-hydroxy-N-methylcrotonamide
Pillardrin
Plantdrin
SD 9129
Shell sd 9129
Susvin
Ulvair

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_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).
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.6107		Relay (1.0) Calculated Property
Δ_fG°	-426.34	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-916.49	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	79.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log₁₀WS	[0.65; 0.65]
log₁₀WS	0.65		Aq. Solubility Prediction
log₁₀WS	0.65		Estimated Solubility
logP_oct/wat	1.054		Crippen Calculated Property
McVol	160.680	ml/mol	McGowan Calculated Property
P_c	2513.17	kPa	Relay (1.0-beta) Calculated Property
T_boil	553.57	K	Relay (1.0) Calculated Property
T_c	734.08	K	Relay (1.0) Calculated Property
T_fus	[328.12; 328.50]	K
T_fus	328.12 ± 0.20	K	NIST
T_fus	328.50 ± 0.10	K	NIST
V_c	0.597	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	22.36	kJ/mol	326.90	NIST

Similar Compounds

Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester, (Z)-.

Dicrotophos.

Phosphoric acid, 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester, (E)-.

Phosphamidon.

Mevinphos.

2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester, (E)-.

Crotoxyphos.

R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-3-methyl-oxo-), ethylated.

Furosemide tri-methyl derivative.

2-Hydroxymethyl-3-(o-tolyl)-4(3H)-quinazolinone (Methaqualone M).

Hydrocinnamyl (E)-isoferulate, TMS.

R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-oxo-), diethylated.

Butylone M (dihydro), 2Ac.

Benzo[1,2-b:5,4-b']difuran-4,8-dione, 2,3-dihydro-5-methyl-2-(1-methylethenyl)-, (-)-.

Paroxetine.

Find more compounds similar to Monocrotophos.

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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