3-Pyridinecarbonitrile, 5-bromo-


Chemical Name: 3-Pyridinecarbonitrile, 5-bromo-
CAS Number: 35590-37-5
Product Number: AG00348E(AGN-PC-0JVOJF)
Synonyms:
MDL No: MFCD00174363
Molecular Formula: C6H3BrN2
Molecular Weight: 183.0054

Identification/Properties


Properties
MP:
103-107 °C
BP:
228.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
183.008g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
181.948g/mol
Monoisotopic Mass:
181.948g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
137
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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