Ethyl α-chlorobenzeneacetate
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Ethyl α-chlorobenzeneacetate
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CAS No:
4773-33-5
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Formula:
C10H11ClO2
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Chemical Name:
Ethyl α-chlorobenzeneacetate
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Synonyms:
Benzeneacetic acid,α-chloro-,ethyl ester;Acetic acid,chlorophenyl-,ethyl ester;Ethyl α-chlorobenzeneacetate;Ethyl α-chlorophenylacetate;Ethyl chlorophenylacetate;Ethyl α-chloro-α-phenylacetate;Ethyl 2-chloro-2-phenylacetate;α-Chlorobenzeneacetic acid ethyl ester;NSC 34191;99531-04-1
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CAS No:
Characteristics
26.3
2.8
colorless transparent liquid
1.162 g/cm3 @ Temp: 16.4 °C
132-133 °C @ Press: 13 Torr
>230 °F
1.517
Safety Information
Ⅱ
UN 3265 8/PG 2
3
34
26-37/39-45
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, 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.
Ethyl α-chlorobenzeneacetate Use and Manufacturing
Using phenylacetic acid as a raw material, in the presence of the catalyst red phosphorus, chlorination is carried out at 85°C to produce α-chlorophenylacetic acid, which is then esterified with 95% ethanol at 60-80°C to obtain α-chlorination The crude product of ethyl phenylacetate is cooled and separated into layers, the water layer is separated, and the finished product is obtained by vacuum distillation (the HCl gas released during the reaction should be absorbed by water for later use). Raw material consumption quota: phenylacetic acid (95%) 722kg/t, liquid chlorine 455kg/t, ethanol (95%) 522kg/t.
This product is an intermediate of organophosphorus insecticide ethyl rice Fengsan.
Computed Properties
Molecular Weight:198.64
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:198.0447573
Monoisotopic Mass:198.0447573
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:164
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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