Pentanoic acid, 5-bromo-


Chemical Name: Pentanoic acid, 5-bromo-
CAS Number: 2067-33-6
Product Number: AG002IN8(AGN-PC-0BXBGW)
Synonyms:
MDL No:
Molecular Formula: C5H9BrO2
Molecular Weight: 181.0278

Identification/Properties


Properties
MP:
38 -40 °C
BP:
265.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4790 (estimate)
Solubility:
95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow
Computed Properties
Molecular Weight:
181.029g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
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:
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:
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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