1,3-Benzenediacetonitrile


Chemical Name: 1,3-Benzenediacetonitrile
CAS Number: 626-22-2
Product Number: AG003DLE(AGN-PC-0JL8ZE)
Synonyms:
MDL No:
Molecular Formula: C10H8N2
Molecular Weight: 156.1839

Identification/Properties


Properties
MP:
32-35 °C
BP:
286.2 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6057 (estimate)
Computed Properties
Molecular Weight:
156.188g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
156.069g/mol
Monoisotopic Mass:
156.069g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
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:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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