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Name	Benzeneacetic acid,2,4-dichloro-, ethyl ester	EINECS	1533716-785-6
CAS No.	41022-54-2	Density	1.266 g/cm³
PSA	26.30000	LogP	3.09900
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₁₀Cl₂O₂	Boiling Point	300.3 °C at 760 mmHg
Molecular Weight	233.094	Flash Point	121.8 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	Xi
Synonyms	(2,4-Dichlorophenyl)aceticacid ethyl ester;Ethyl 2,4-dichlorophenylacetate;Ethyl2-(2,4-dichlorophenyl)acetate;NSC 33951;Butyric acid, 2,4-dichlorophenyl ester;Butanoic acid, 2,4-dichlorophenyl ester;2,4-dichlorophenyl butyrate;	Article Data	7

Benzeneacetic acid,2,4-dichloro-, ethyl ester Synthetic route

: 64-17-5
ethanol

: 19719-28-9
2,4-dichlorophenylacetic acid

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

Conditions

Conditions	Yield
With sulfuric acid In benzene	95%
With sulfuric acid In benzene Reflux;

: 14062-24-9
4-chloro-benzeneacetic acid, ethyl ester

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

Conditions

Conditions	Yield
With sodium persulfate; N-chloro-succinimide; trifluorormethanesulfonic acid; palladium diacetate In 1,2-dichloro-ethane at 70℃; for 7h; Sealed tube; regioselective reaction;	66%

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 59293-67-3
2,4-dichlorobenzyl mercaptan

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

Conditions

Conditions	Yield
With dicobalt octacarbonyl; water at 190℃; under 43957.6 - 46543.3 Torr; for 24h;	25%

: 41022-55-3
ethyl α-bromo-2,4-dichlorophenylacetate

A: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

B: 129430-58-6, 129430-59-7
2,3-Bis-(2,4-dichloro-phenyl)-succinic acid diethyl ester

Conditions

Conditions	Yield
In N,N-dimethyl-formamide Ambient temperature; electrolysis;

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

: 41022-55-3
ethyl α-bromo-2,4-dichlorophenylacetate

Conditions

Conditions	Yield
With N-Bromosuccinimide In tetrachloromethane for 5h; Irradiation;	98.7%

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

: 105-58-8
Diethyl carbonate

: 111544-93-5
diethyl 2-(2,4-dichlorophenyl)propanedioate

Conditions

Conditions	Yield
With sodium hydride In toluene at 20 - 100℃; for 1h; Inert atmosphere;	78%

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

: 98-95-3
nitrobenzene

: 855194-85-3
(2,4-dichlorophenyl)(4-nitrophenyl)methanone

Conditions

Conditions	Yield
With potassium tert-butylate In benzene at 20℃; regiospecific reaction;	68%

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

A: 5-hydroxy-2,4,6-tris(2,4-dichlorophenyl)-1,3-phenylene bis(dihydrogen phosphate)

B: 2,4,6-tris(2,4-dichlorophenyl)benzene-1,3,5-triyl tris(dihydrogen phosphate)

Conditions

Conditions	Yield
With phosphorus pentoxide at 130℃; for 0.833333h;	A 64% B 10%
With pyrophosphoric acid at 130℃; for 0.833333h;	A n/a B 64%
With phosphorus pentoxide at 130℃; for 0.916667h;	A 52% B 16%
With pyrophosphoric acid at 130℃; for 0.833333h;

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

: 383-63-1
ethyl trifluoroacetate,

: ethyl 2-(2,4-dichlorophenyl)-4,4,4-trifluoro-3-oxobutanoate

Conditions

Conditions	Yield
With sodium In diethyl ether for 12h; Reflux;	7%

: 41022-54-2
ethyl 2-(2, 4-dichlorophenyl)acetate

: 4360-47-8
cinnamonitrile

: 134823-36-2, 134823-37-3
2-(2,4-dichlorophenyl)-4-cyano-3-phenylbutanoate d'ethyle threo

: 134823-36-2, 134823-37-3
2-(2,4-dichlorophenyl)-4-cyano-3-phenylbutanoate d'ethyle erythro

Conditions

Conditions	Yield
With sodium amide 1.) Et2O, -5 deg C, 2.) a) Et2O, -5 deg C, 3 h, b) 15 deg C, 3 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
With sodium amide 1.) Et2O, -5 deg C, 2.) a) Et2O, -5 deg C, 3 h, b) 15 deg C, 3 h; Yield given. Multistep reaction. Yields of byproduct given;

Benzeneacetic acid,2,4-dichloro-, ethyl ester Specification

The Benzeneacetic acid,2,4-dichloro-, ethyl ester, with the CAS registry number 41022-54-2, has the systematic name of 2,4-dichlorophenyl butanoate. And the molecular formula of this chemical is C₁₀H₁₀Cl₂O₂. It is a kind of irritant chemical, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetic acid,2,4-dichloro-, ethyl ester are as following: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 56.64 cm³; (9)Molar Volume: 183.9 cm³; (10)Polarizability: 22.45×10^-24cm³; (11)Surface Tension: 39.1 dyne/cm; (12)Density: 1.266 g/cm³; (13)Flash Point: 121.8 °C; (14)Enthalpy of Vaporization: 54.03 kJ/mol; (15)Boiling Point: 300.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00113 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1OC(=O)CCC
(2)InChI: InChI=1/C10H10Cl2O2/c1-2-3-10(13)14-9-5-4-7(11)6-8(9)12/h4-6H,2-3H2,1H3
(3)InChIKey: ZVLYZDINTHKGLR-UHFFFAOYAD

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