Butanoic acid, 2-chloro-3-oxo-, ethyl ester


Chemical Name: Butanoic acid, 2-chloro-3-oxo-, ethyl ester
CAS Number: 609-15-4
Product Number: AG0034UI(AGN-PC-0JKA9J)
Synonyms:
MDL No:
Molecular Formula: C6H9ClO3
Molecular Weight: 164.5869

Identification/Properties


Properties
MP:
-80 °C
BP:
225.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.441(lit.)
Computed Properties
Molecular Weight:
164.585g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
164.024g/mol
Monoisotopic Mass:
164.024g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
144
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2920
Hazard Statements:
H226-H302-H315-H318-H335-H412
Precautionary Statements:
P280-P305+P351+P338
Class:
8,3
Packing Group:

NMR Spectrum


Other Analytical Data


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