Propanoic acid, 2,3-dicyano-, ethyl ester
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Propanoic acid, 2,3-dicyano-, ethyl ester
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CAS No:
40497-11-8
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Formula:
C7H8N2O2
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Chemical Name:
Propanoic acid, 2,3-dicyano-, ethyl ester
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Synonyms:
Propanoic acid,2,3-dicyano-,ethyl ester;Propionic acid,2,3-dicyano-,ethyl ester;Ethyl 2,3-dicyanopropionate;Ethyl 2,3-dicyanopropanoate;2,3-Dicyanopropionic acid ethyl ester;2,3-Dicyanopropanoic acid ethyl ester;1903014-12-9
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CAS No:
Propanoic acid, 2,3-dicyano-, ethyl ester Basic Attributes
152.15
152.15
609-836-6
DTXSID60443934
2926909090
Characteristics
73.9
0.1
Colorless or light-yellow oily liquid
1.1±0.1 g/cm3
120-135 °C
147.5±13.9 °C
1.448
Refrigerator
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Propanoic acid, 2,3-dicyano-, ethyl ester Use and Manufacturing
The preparation method is to add potassium cyanide solution and ethyl cyanoacetate to the reaction bottle, using dimethyl sulfoxide as the solvent, slowly add the formaldehyde solution to the solution, the reaction temperature is maintained at 5 ℃, after the addition is complete, the reaction Continue at 20 ℃ for 15h, then add the reaction solution to ice water, separate the organic layer, extract the aqueous layer with solvent, mix the organic layer, dry and desolve to obtain the product. Reaction equation: HCHO+KCN+CNCH2COOC2H5→CNCH2-CHCNCOOC2H5
Anintermediate for insecticide
Computed Properties
Molecular Weight:152.15
XLogP3:0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:152.058577502
Monoisotopic Mass:152.058577502
Topological Polar Surface Area:73.9
Heavy Atom Count:11
Complexity:229
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Propanoic acid, 2,3-dicyano-, ethyl ester
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