Benzonitrile, 4-(bromoacetyl)-


Chemical Name: Benzonitrile, 4-(bromoacetyl)-
CAS Number: 20099-89-2
Product Number: AG002D45(AGN-PC-09TX9F)
Synonyms:
MDL No:
Molecular Formula: C9H6BrNO
Molecular Weight: 224.0540

Identification/Properties


Properties
MP:
92-96 °C(lit.)
BP:
342.4 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
224.057g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
222.963g/mol
Monoisotopic Mass:
222.963g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
210
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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