Isopropyl(4-chlorophenyl)acetyl chloride
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Isopropyl(4-chlorophenyl)acetyl chloride
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CAS No:
51631-50-6
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Formula:
C11H12Cl2O
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Chemical Name:
Isopropyl(4-chlorophenyl)acetyl chloride
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Synonyms:
3-methyl-2-(4-chlorophenyl)butyryl chloride;2-(4-Chlorophenyl)-3-methylbutanoyl chloride;2-(4-Chlorophenyl)isovaleryl chloride;isopropyl(4-chlorophenyl)acetyl chloride;2-(4-CHLOROPHENYL)-3-METHYLBUTYRYL;Alpha-Isopropyl-4-Chlorophenyl Acetyl Chloride;2-(4-CHLOROPHENYL)-3-METHYLBUTYL CHLORID;4-chloro-1-(1-methylethyl)benzeneacetyl chloride
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CAS No:
Isopropyl(4-chlorophenyl)acetyl chloride Basic Attributes
231.11838
230.026520
DTXSID20400326
2916399090
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Isopropyl(4-chlorophenyl)acetyl chloride Use and Manufacturing
The preparation methods are as follows. In the phosgene method, put 3-methyl-2-(4-chlorophenyl) butyric acid solid into the reactor, a small amount of DMF is used as the catalyst, after the temperature is raised to the solid melting, a small amount of phosgene is introduced, and the temperature is controlled at 80~ At 90°C, gradually increase the phosgene intake. When the phosgene intake reaches a certain amount, reduce the reaction temperature to 50-60°C, and then add phosgene. When the phosgene reaches the required amount, stop the phosgene , Pass nitrogen to drive phosgene at 60~70℃, and discharge after phosgene is exhausted, which is finished product. Thionyl chloride method: Put thionyl chloride into the reactor, raise the temperature to 30~40℃, add dropwise the molten 3-methyl-2-(4-chlorophenyl) butyric acid, and after the dropwise addition is completed, at 30 Keep the temperature at ~40°C for 0.5h, after the reaction, remove excess thionyl chloride under reduced pressure, cool and discharge the finished product.
Pesticide intermediates.
Computed Properties
Molecular Weight:231.11
XLogP3:4.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:230.0265204
Monoisotopic Mass:230.0265204
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:196
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Isopropyl(4-chlorophenyl)acetyl chloride
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