2,5-Cyclohexadiene-1,4-dione, 2-bromo-


Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2-bromo-
CAS Number: 3958-82-5
Product Number: AG003GM1(AGN-PC-0JPI8Q)
Synonyms:
MDL No:
Molecular Formula: C6H3BrO2
Molecular Weight: 186.9908

Identification/Properties


Properties
MP:
55°C
BP:
229.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
186.992g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
185.932g/mol
Monoisotopic Mass:
185.932g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
225
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
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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