Phthalonitrile


Chemical Name: Phthalonitrile
CAS Number: 91-15-6
Product Number: AG003DE9(AGN-PC-0WAET5)
Synonyms:
MDL No:
Molecular Formula: C8H4N2
Molecular Weight: 128.1308

Identification/Properties


Properties
MP:
137-139 °C(lit.);
BP:
304.5 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6231 (estimate)
Solubility:
benzene: 50 mg/mL, clear
Computed Properties
Molecular Weight:
128.134g/mol
XLogP3:
1
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:
178
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#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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