Butanoic acid, 4-chloro-, methyl ester


Chemical Name: Butanoic acid, 4-chloro-, methyl ester
CAS Number: 3153-37-5
Product Number: AG003401(AGN-PC-00BZDY)
Synonyms:
MDL No:
Molecular Formula: C5H9ClO2
Molecular Weight: 136.5768

Identification/Properties


Properties
BP:
175.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
136.575g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
136.029g/mol
Monoisotopic Mass:
136.029g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
72.8
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#:
3272
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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