Butanoic acid, 2-cyano-3-oxo-, ethyl ester
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Butanoic acid, 2-cyano-3-oxo-, ethyl ester
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CAS No:
634-55-9
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Formula:
C7H9NO3
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Chemical Name:
Butanoic acid, 2-cyano-3-oxo-, ethyl ester
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Synonyms:
Butanoic acid,2-cyano-3-oxo-,ethyl ester;Acetoacetic acid,2-cyano-,ethyl ester;Ethyl α-cyanoacetoacetate;Ethyl 2-cyano-3-oxobutanoate;152548-71-5
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CAS No:
Description
Ethyl 2-cyanoacetoacetate is an alpha-substituted cyanoacetate ester and an ethyl ester.
Characteristics
67.16000
0.27828
1.12g/cm3
115 °C @ Press: 2 Torr
91.2ºC
1.435
Not miscible or difficult to mix in water.
Safety Information
III
6.1
UN 3276
20/21/22
26-36/37/39
P260, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P337+P313, P361, P363, P403+P233, P405, P501
H301
|Danger|H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P337+P313, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:155.15
XLogP3:0.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:155.058243149
Monoisotopic Mass:155.058243149
Topological Polar Surface Area:67.2
Heavy Atom Count:11
Complexity:213
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Butanoic acid, 2-cyano-3-oxo-, ethyl ester
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