[1,1'-Biphenyl]-4-acetonitrile


Chemical Name: [1,1'-Biphenyl]-4-acetonitrile
CAS Number: 31603-77-7
Product Number: AG003KU3(AGN-PC-0JKOPG)
Synonyms:
MDL No: MFCD00016403
Molecular Formula: C14H11N
Molecular Weight: 193.2438

Identification/Properties


Properties
MP:
88-92 °C(lit.)
BP:
146-150°C 0,03mm
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
193.249g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
193.089g/mol
Monoisotopic Mass:
193.089g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
223
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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