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| CAS No.: | 2234-16-4 |
|---|---|
| Name: | 2',4'-Dichloroacetophenone |
| Article Data: | 44 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C8H6Cl2O |
| Molecular Weight: | 189.041 |
| Synonyms: | Acetophenone,2',4'-dichloro- (6CI,7CI,8CI);1-(2,4-Dichlorophenyl)ethanone;NSC 33945;o,p-Dichloroacetophenone;p-Chloro-2-chloroacetophenone;Ethanone,1-(2,4-dichlorophenyl)-;2-Acetyl-5-chlorophenyl chloride; |
| EINECS: | 218-780-8 |
| Density: | 1.32 g/cm3 |
| Melting Point: | 33-34 °C(lit.) |
| Boiling Point: | 246.7 °C at 760 mmHg |
| Flash Point: | 100.9 °C |
| Solubility: | ca. 200 mg/L in water |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-41-52/53-36/37/38 |
| Safety: | 26-39-61-36 |
| PSA: | 17.07000 |
| LogP: | 3.19600 |
- 2234-20-0Benzene,1-ethenyl-2,4-dimethyl-
- 2234-26-6Bicyclo[2.2.1]heptane-2-carbonitrile
- 223433-45-2Boronic acid,B-[2-(4-morpholinylmethyl)phenyl]-
- 223436-99-51-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, 99%
- 223437-05-61-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
- 223437-11-4N-Butyl, methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
- 22345-47-7Tofisopam
- 223463-13-65-Bromo-2-iodopyridine
- 223463-14-7Boronicacid, B-(6-bromo-3-pyridinyl)-
- 22346-43-62-Naphthalenesulfonicacid, 4-hydroxy-7-(methylamino)-
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride at 40 - 55℃; | 97.9% |
| Stage #1: acetic anhydride; 1,3-Dichlorobenzene With aluminum (III) chloride at 40 - 55℃; under 637.564 Torr; Stage #2: With hydrogenchloride In water | 95% |
| With aluminum (III) chloride at 50℃; for 4h; Reagent/catalyst; Temperature; | 70.9% |
| Stage #1: acetic anhydride With aluminum (III) chloride In 1,2-dichloro-benzene for 0.333333h; Stage #2: 1,3-Dichlorobenzene With hydrogenchloride In water; 1,2-dichloro-benzene Cooling with ice; | 55.46% |
| With hydrogenchloride; aluminum (III) chloride; calcium chloride In water for 0.833333h; | 55.46% |
| Conditions | Yield |
|---|---|
| at 60℃; for 4h; Ionic liquid; Green chemistry; | 96% |
| at 60℃; for 4h; Temperature; Ionic liquid; | 96% |
| With aluminium trichloride |
| Conditions | Yield |
|---|---|
| With 2,4,6-trimethyl-pyridine; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 22℃; for 3h; Reagent/catalyst; | 95% |
| With copper(l) iodide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium tert-butylate; L-proline In N,N-dimethyl-formamide at 25℃; for 8h; | 90% |
| With calcomenite; potassium hydroxide In toluene for 24h; Reflux; | 86% |
| Conditions | Yield |
|---|---|
| With perchloric acid; oxygen; palladium diacetate; p-benzoquinone; sodium nitrite In methanol; water at 20℃; for 24h; Wacker Oxidation; Schlenk technique; Sealed tube; Green chemistry; | 94% |
| With dihydrogen peroxide In water; acetonitrile at 55℃; for 12h; Wacker Oxidation; | 62% |
| With manganese(IV) oxide; palladium dichloride In water; acetonitrile at 60℃; for 28h; | 60% |
| Conditions | Yield |
|---|---|
| With tris-(trimethylsilyl)silane In acetonitrile for 24h; Schlenk technique; Inert atmosphere; Irradiation; | 91% |
- 71516-67-1
1-(2,4-dichlorophenyl)ethan-1-one oxime
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium chlorite In water at 20℃; for 0.0833333h; | 91% |
| With Iron(III) nitrate nonahydrate; oxygen In toluene at 37℃; under 760.051 Torr; for 1.5h; Schlenk technique; Green chemistry; | 91% |
- 2631-72-3
2,4-dichlorophenacyl bromide
- 121-45-9
phosphorous acid trimethyl ester
A
- 68107-01-7
O,O-dimethyl-O-<1-(2,4-dichlorophenyl)-2-bromo>vinyl phosphate (isomer Z)
C
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
| Conditions | Yield |
|---|---|
| In methanol for 0.25h; Title compound not separated from byproducts; | A 90% B 3.3% C 3.3% |
| In methanol for 0.25h; Mechanism; Heating; other phenacyl and phenacylidene halides; |
- 68716-47-2
2,4-dichlorophenylboronic acid
- 105-56-6
ethyl 2-cyanoacetate
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine at 90℃; for 8h; regioselective reaction; | 70% |
- 917-64-6
methyl magnesium iodide
- 6574-98-7
2,4-dichlorobenzylnitrile
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
| Conditions | Yield |
|---|---|
| With diethyl ether anschliessendes Behandeln mit wss. H2SO4; |
- 15289-82-4
Phosphorsaeure-<1-(2,4-dichlor-phenyl)-vinylester>-diisopropylester
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid | |
| With sulfuric acid at 165℃; |
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Specification
The Ethanone,1-(2,4-dichlorophenyl)-, with CAS registry number 2234-16-4, belongs to the following product categories: (1)Acetophenone Series; (2)Carbonyl Compounds; (3)Aromatic Acetophenones & Derivatives (substituted); (4)Adehydes, Acetals & Ketones; (5)Chlorine Compounds; (6)C7 to C8; (7)Carbonyl Compounds; (8)Ketones. It has the systematic name of 1-(2,4-dichlorophenyl)ethanone. This chemical is a kind of colorless to yellow-brown solid. What's more, its EINECS is 218-780-8.
Physical properties of Ethanone,1-(2,4-dichlorophenyl)-: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.35; (6)ACD/BCF (pH 7.4): 77.35; (7)ACD/KOC (pH 5.5): 782.31; (8)ACD/KOC (pH 7.4): 782.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 46.07 cm3; (15)Molar Volume: 144.8 cm3; (16)Polarizability: 18.26×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Enthalpy of Vaporization: 48.38 kJ/mol; (19)Vapour Pressure: 0.0268 mmHg at 25°C.
Uses of Ethanone,1-(2,4-dichlorophenyl)-: it can be used to produce 2,4-Dichlorphenacylidinbromid. This reaction will need reagents Br2, NaOAc and solvent CCl4.
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When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed. And it has risk of serious damage to the eyes. It is also harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=C(C=C(C=C1)Cl)Cl
(2)InChI: InChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
(3)InChIKey: XMCRWEBERCXJCH-UHFFFAOYSA-N