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CAS No.: | 4252-78-2 |
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Name: | 2,2',4'-Trichloroacetophenone |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C8H5Cl3O |
Molecular Weight: | 223.486 |
Synonyms: | Acetophenone,2,2',4'-trichloro- (6CI,7CI,8CI);2,4,2'-Trichloroacetophenone;2,4-Dichlorophenacyl chloride;2-Chloro-1-(2,4-dichlorophenyl)ethanone;2-Chloro-1-(2',4'-dichlorophenyl)ethanone;Chloromethyl 2,4-dichlorophenylketone;a,2,4-Trichloroacetophenone;w-Chloro-2,4-dichloroacetophenone; |
EINECS: | 224-218-2 |
Density: | 1.43 g/cm3 |
Melting Point: | 47-54 °C(lit.) |
Boiling Point: | 292.2 °C at 760 mmHg |
Flash Point: | 122.1 °C |
Solubility: | Insoluble in water |
Appearance: | yellow crystalline powder |
Hazard Symbols: | Xi,C,N, T |
Risk Codes: | 37/38-41-43-51/53-34-23/24/25 |
Safety: | 26-36/37/39-61-45 |
Transport Information: | UN 1759 |
PSA: | 17.07000 |
LogP: | 3.41490 |
Conditions | Yield |
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With aluminum (III) chloride at 30℃; for 3h; Friedel-Crafts Acylation; | 93.1% |
With aluminum (III) chloride In dichloromethane at 20℃; | 90% |
With aluminum (III) chloride In dichloromethane for 3h; Reflux; | 86% |
Conditions | Yield |
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With potassium chloride; tin(ll) chloride at 65℃; for 5h; Temperature; Concentration; | 93% |
Conditions | Yield |
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With aluminum (III) chloride at 30 - 50℃; Friedel-Crafts Acylation; | 88.5% |
1-(2,4-dichlorophenyl)ethan-1-one
A
2,2-dichloro-1-(2,4-dichlorophenyl)ethan-1-one
B
2,2',4'-trichloroacetophenone
Conditions | Yield |
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With chloro-trimethyl-silane; potassium nitrate In dichloromethane at 60℃; for 16h; | A n/a B 73% |
Phosphorsaeure-<2-chlor-1-(2,4-dichlor-phenyl)-vinylester>-diisopropylester
2,2',4'-trichloroacetophenone
Conditions | Yield |
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With toluene-4-sulfonic acid | |
With sulfuric acid at 165℃; | |
With toluene-4-sulfonic acid at 165℃; |
Conditions | Yield |
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With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid In N,N-dimethyl-formamide at 25℃; for 6h; | 92 % Chromat. |
aluminium trichloride
chloroacetyl chloride
1,3-Dichlorobenzene
2,2',4'-trichloroacetophenone
Conditions | Yield |
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With chlorine | |
With aluminum (III) chloride; chlorine In diethyl ether Cooling with ice; |
Conditions | Yield |
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Multi-step reaction with 2 steps 2: TsOH / 165 °C View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / 1,2-dichloro-benzene / 0.33 h 1.2: Cooling with ice 2.1: aluminum (III) chloride; chlorine / diethyl ether / Cooling with ice View Scheme |
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The Ethanone,2-chloro-1-(2,4-dichlorophenyl)-, with the CAS registry number 4252-78-2, is also known as Chloromethyl 2,4-dichlorophenylketone. It belongs to the product categories of Acetophenone Series; Econazole Nitrate. Its EINECS number is 224-218-2. This chemical's molecular formula is C8H5Cl3O and molecular weight is 223.48. What's more, its systematic name is 2-chloro-1-(2,4-dichlorophenyl)ethanone. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is used as intermediates of pesticides and pharmaceutical.
Physical properties of Ethanone,2-chloro-1-(2,4-dichlorophenyl)- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.43; (6)ACD/BCF (pH 7.4): 106.43; (7)ACD/KOC (pH 5.5): 983.06; (8)ACD/KOC (pH 7.4): 983.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 50.92 cm3; (15)Molar Volume: 156.2 cm3; (16)Polarizability: 20.18×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 122.1 °C; (20)Enthalpy of Vaporization: 53.17 kJ/mol; (21)Boiling Point: 292.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00186 mmHg at 25°C.
Uses of Ethanone,2-chloro-1-(2,4-dichlorophenyl)-: it can be used to produce 2-chloro-1-(2,4-dichloro-phenyl)-ethanone oxime at the temperature of 20 °C. It will need reagent NH2OH·HCl and solvent methanol with the reaction time of 24 hours. The yield is about 68%.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to respiratory system and skin and has a risk of serious damage to eyes. It may cause sensitisation by skin contact and can cause burns. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. You must avoid releasing it to the environment just refering to special instructions/safety data sheet. In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1Cl)CCl
(2)Std. InChI: InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
(3)Std. InChIKey: VYWPPRLJNVHPEU-UHFFFAOYSA-N