2-Nitrobenzonitrile


Chemical Name: 2-Nitrobenzonitrile
CAS Number: 612-24-8
Product Number: AG003HSH(AGN-PC-0WA715)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O2
Molecular Weight: 148.1189

Identification/Properties


Properties
MP:
107-109 °C(lit.)
BP:
165 °C (16 mmHg)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
148.121g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
148.027g/mol
Monoisotopic Mass:
148.027g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
200
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+H332
Precautionary Statements:
P261-P271
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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