2-Pentanone, 5-chloro-


Chemical Name: 2-Pentanone, 5-chloro-
CAS Number: 5891-21-4
Product Number: AG00348Y(AGN-PC-00G6YR)
Synonyms:
MDL No:
Molecular Formula: C5H9ClO
Molecular Weight: 120.5774

Identification/Properties


Properties
BP:
172.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.438(lit.)
Solubility:
Soluble in chloroform and methanol.
Computed Properties
Molecular Weight:
120.576g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
120.034g/mol
Monoisotopic Mass:
120.034g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
61.1
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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