2-Naphthaleneacetonitrile


Chemical Name: 2-Naphthaleneacetonitrile
CAS Number: 7498-57-9
Product Number: AG003HRQ(AGN-PC-0JLTML)
Synonyms:
MDL No:
Molecular Formula: C12H9N
Molecular Weight: 167.2066

Identification/Properties


Properties
MP:
82-84 °C(lit.)
BP:
303.0°C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5785 (estimate)
Computed Properties
Molecular Weight:
167.211g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
167.073g/mol
Monoisotopic Mass:
167.073g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
212
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
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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