Butanoic acid, 2-bromo-, 1,1-dimethylethyl ester


Chemical Name: Butanoic acid, 2-bromo-, 1,1-dimethylethyl ester
CAS Number: 24457-21-4
Product Number: AG003UJD(AGN-PC-00L0G5)
Synonyms:
MDL No: MFCD00209634
Molecular Formula: C8H15BrO2
Molecular Weight: 223.1075

Identification/Properties


Properties
BP:
187.947°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.4410
Computed Properties
Molecular Weight:
223.11g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
222.026g/mol
Monoisotopic Mass:
222.026g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
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#:
1760
Hazard Statements:
H314
Precautionary Statements:
P264-P271-P301+P330+P331-P305+P351+P338-P363-P403+P233-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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