Butanoic acid, 4-bromo-


Chemical Name: Butanoic acid, 4-bromo-
CAS Number: 2623-87-2
Product Number: AG002SED(AGN-PC-0JLPLP)
Synonyms:
MDL No:
Molecular Formula: C4H7BrO2
Molecular Weight: 167.0012

Identification/Properties


Properties
MP:
31 - 33 °C
BP:
248.7 °C at 760 mmHg
Storage:
Light sensitive;Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Refractive Index:
1.4730 (estimate)
Computed Properties
Molecular Weight:
167.002g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
165.963g/mol
Monoisotopic Mass:
165.963g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
62.7
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:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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