Pentanoic acid, 2-bromo-


Chemical Name: Pentanoic acid, 2-bromo-
CAS Number: 584-93-0
Product Number: AG003GT6(AGN-PC-0JKA1C)
Synonyms:
MDL No:
Molecular Formula: C5H9BrO2
Molecular Weight: 181.0278

Identification/Properties


Properties
BP:
132-136 °C25 mm Hg(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.4709(lit.)
Computed Properties
Molecular Weight:
181.029g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
179.979g/mol
Monoisotopic Mass:
179.979g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
82.5
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#:
3265
Hazard Statements:
H301+H311+H331-H314
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P310-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P322-P361-P363-P403+P233-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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