Ethanone, 2-bromo-1-(3-nitrophenyl)-


Chemical Name: Ethanone, 2-bromo-1-(3-nitrophenyl)-
CAS Number: 2227-64-7
Product Number: AG00BBLG(AGN-PC-0JLP7K)
Synonyms:
MDL No:
Molecular Formula: C8H6BrNO3
Molecular Weight: 244.0421

Identification/Properties


Properties
MP:
90-96 °C(lit.)
BP:
288.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.6090 (estimate)
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
244.044g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
242.953g/mol
Monoisotopic Mass:
242.953g/mol
Topological Polar Surface Area:
62.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
214
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-H290
Precautionary Statements:
P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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