2-Butene-1,4-diol, 2,3-dibromo-, (2E)-


Chemical Name: 2-Butene-1,4-diol, 2,3-dibromo-, (2E)-
CAS Number: 21285-46-1
Product Number: AG003UVP(AGN-PC-0O7U0P)
Synonyms:
MDL No:
Molecular Formula: C4H6Br2O2
Molecular Weight: 245.8972

Identification/Properties


Properties
MP:
112-114 °C(lit.)
BP:
318.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
245.898g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
245.871g/mol
Monoisotopic Mass:
243.873g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
88.2
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
H317
Precautionary Statements:
P261-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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