Butanoic acid, 4-chloro-3-oxo-, methyl ester


Chemical Name: Butanoic acid, 4-chloro-3-oxo-, methyl ester
CAS Number: 32807-28-6
Product Number: AG00357K(AGN-PC-0JKOY9)
Synonyms:
MDL No: MFCD00000938
Molecular Formula: C5H7ClO3
Molecular Weight: 150.5603

Identification/Properties


Properties
MP:
14-16 °C
BP:
228.984°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.456(lit.)
Computed Properties
Molecular Weight:
150.558g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
150.008g/mol
Monoisotopic Mass:
150.008g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
121
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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#:
2810
Hazard Statements:
H301-H314
Precautionary Statements:
P280-P301+P310-P305+P351+P338-P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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