Benzonitrile, 4-acetyl-


Chemical Name: Benzonitrile, 4-acetyl-
CAS Number: 1443-80-7
Product Number: AG001JAE(AGN-PC-005JTK)
Synonyms:
MDL No:
Molecular Formula: C9H7NO
Molecular Weight: 145.1580

Identification/Properties


Properties
MP:
56-59 °C
BP:
293.3 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4500 (estimate)
Computed Properties
Molecular Weight:
145.161g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
145.053g/mol
Monoisotopic Mass:
145.053g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
193
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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