Ethyl 3-chloro-3-oxopropanoate
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Ethyl 3-chloro-3-oxopropanoate
structure -
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CAS No:
36239-09-5
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Formula:
C5H7ClO3
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Chemical Name:
Ethyl 3-chloro-3-oxopropanoate
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Synonyms:
Propanoic acid,3-chloro-3-oxo-,ethyl ester;Acetic acid,(chloroformyl)-,ethyl ester;Ethyl 3-chloro-3-oxopropanoate;(Chloroformyl)acetic acid ethyl ester;Carbethoxyethanoyl chloride;Ethyl (chloroformyl)acetate;Malonic acid monoethyl ester chloride;(Ethoxycarbonyl)acetyl chloride;Carbethoxyacetyl chloride;Ethyl (chlorocarbonyl)acetate;Ethyl malonoyl chloride;Ethyl malonyl chloride;2-(Ethoxycarbonyl)acetyl chloride;Malonic ethyl ester chloride;Malonic chloride ethyl ester;Malonic acid chloride ethyl ester;Malonic acid ethyl ester chloride;Monoethyl malonyl chloride;Ethyl 3-chloro-3-oxopropionate;Ethoxymalonyl chloride;Malonic acid chloride monoethyl ester;Ethyl 3-oxo-3-chloropropanoate;3-Chloro-3-oxopropanoic acid ethyl ester;Carboethoxyacetyl chloride;(Chlorocarbonyl)acetic acid ethyl ester;3-Ethoxy-3-oxopropanoyl chloride
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CAS No:
Ethyl 3-chloro-3-oxopropanoate Basic Attributes
150.56
150.56
636215
252-934-5
6TYB4UU3RU
DTXSID80189786
2917190090
Characteristics
43.4
1.3
Clear yellow to brown Liquid
1.2±0.1 g/cm3
60 °C @ Press: 7 Torr
154 °F
1.431
Solubility in water: reaction
2-8°C
Safety Information
Ⅲ
8
UN 3265 8/PG 3
3
14-34
7-26-36/37/39-45-36/39
C
Corrosive
Stable under normal temperatures and pressures.
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 52 companies from 6 notifications to the ECHA C&L Inventory.
Ethyl 3-chloro-3-oxopropanoate Use and Manufacturing
Employed in the synthesis of 3-pyrrolin-2-ones via amidation with propargylamines and subsequent base catalyzed 5-exo-dig cyclization.1
Computed Properties
Molecular Weight:150.56
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:150.0083718
Monoisotopic Mass:150.0083718
Topological Polar Surface Area:43.4
Heavy Atom Count:9
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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