1,3-Benzenedicarbonitrile


Chemical Name: 1,3-Benzenedicarbonitrile
CAS Number: 626-17-5
Product Number: AG003DJI(AGN-PC-0JKAIA)
Synonyms:
MDL No:
Molecular Formula: C8H4N2
Molecular Weight: 128.1308

Identification/Properties


Properties
MP:
163-165 °C(lit.);
BP:
239°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6231 (estimate)
Solubility:
0.7g/l
Computed Properties
Molecular Weight:
128.134g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
128.037g/mol
Monoisotopic Mass:
128.037g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
180
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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