Propanoic acid, 2-bromo-, ethyl ester


Chemical Name: Propanoic acid, 2-bromo-, ethyl ester
CAS Number: 535-11-5
Product Number: AG0034UC(AGN-PC-0JLRR6)
Synonyms:
MDL No:
Molecular Formula: C5H9BrO2
Molecular Weight: 181.0278

Identification/Properties


Properties
BP:
162.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.446(lit.)
Computed Properties
Molecular Weight:
181.029g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
179.979g/mol
Monoisotopic Mass:
179.979g/mol
Topological Polar Surface Area:
26.3A^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#:
1992
Hazard Statements:
H301-H315-H318-H226
Precautionary Statements:
P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P305+P351+P338-P310-P403+P235-P405
Class:
3,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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