Benzeneacetonitrile, 4-cyano-


Chemical Name: Benzeneacetonitrile, 4-cyano-
CAS Number: 876-31-3
Product Number: AG003L9I(AGN-PC-0JMP0W)
Synonyms:
MDL No:
Molecular Formula: C9H6N2
Molecular Weight: 142.1573

Identification/Properties


Properties
MP:
100-104 °C(lit.)
BP:
180-181℃
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.499
Computed Properties
Molecular Weight:
142.161g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
142.053g/mol
Monoisotopic Mass:
142.053g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
206
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-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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