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CAS Number: 634-55-9
ethyl 2-cyano-3-oxobutanoate

Structure

ethyl 2-cyano-3-oxobutanoate
Name: ethyl 2-cyano-3-oxobutanoate
Synonyms:
General Information
Product Number: 634559
CAS Registry Number:
634-55-9
Name:
Butanoic acid, 2-​cyano-​3-​oxo-​, ethyl ester
Acetoacetic acid, 2-​cyano-​, ethyl ester (6CI,​7CI,​8CI); Ethyl 2-​cyano-​3-​oxobutanoate; Ethyl α-​cyanoacetoacetate 
 
Deleted CAS Registry Numbers: 152548-​71-​5
 
Chemical Formula: C7H9NO3
Exact Mass: 155.06
Molecular Weight: 155.15
m/z: 155.06 (100.0%), 156.06 (8.2%)
Elemental Analysis: C, 54.19; H, 5.85; N, 9.03; O, 30.94
 
InChI: InChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3
InChIKey: NWOKVFOTWMZMHL-UHFFFAOYSA-N
 
Thermal Properties Value Condition Note
Boiling Point 115 °C Press: 2 Torr (1)CAS
Boiling Point 110-115 °C Press: 20 Torr (2)IC
Boiling Point 106-111 °C Press: 20 Torr (3)CAS
Boiling Point 106-107 °C Press: 15 Torr (4)CAS
Boiling Point 102-104 °C Press: 10 Torr (5)CAS
Boiling Point 100-104 °C Press: 10 Torr (5)CAS
Boiling Point 96-104 °C Press: 0.5-1 Torr (6)CAS
Boiling Point 60-65 °C Press: 3 Torr (7)CAS

Specification

98%

References

  • (1) Edwards, Harry D.; GB 642514 1950 CAPLUS
  • (2) Schenone, Pietro; Journal of Heterocyclic Chemistry 1991, V28(2), P453-7 CAPLUS
  • (3) Isoshima, Toshizo; Nippon Kagaku Zasshi 1956, V77, P425-6 CAPLUS
  • (4) Yasuda, Hiroyuki; Yakugaku Zasshi 1959, V79, P836-8 CAPLUS
  • (5) Martin, Dieter; Chemische Berichte 1965, V98(11), P3662-71 CAPLUS
  • (6) GB 812366 1959 CAPLUS
  • (7) Grigat, Ernst; DE 1215153 1966 CAPLUS
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