Propanoic acid, 3-chloro-3-oxo-, methyl ester


Chemical Name: Propanoic acid, 3-chloro-3-oxo-, methyl ester
CAS Number: 37517-81-0
Product Number: AG00356S(AGN-PC-0JLOGJ)
Synonyms:
MDL No: MFCD00013657
Molecular Formula: C4H5ClO3
Molecular Weight: 136.5337

Identification/Properties


Properties
BP:
57-59°C at 12 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Lachrymatory
Refractive Index:
n20/D 1.432(lit.)
Computed Properties
Molecular Weight:
136.531g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
135.993g/mol
Monoisotopic Mass:
135.993g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
110
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#:
3265
Hazard Statements:
H227-H314-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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