Benzonitrile, 4-isothiocyanato-


Chemical Name: Benzonitrile, 4-isothiocyanato-
CAS Number: 2719-32-6
Product Number: AG003L9G(AGN-PC-0JKDKO)
Synonyms:
MDL No:
Molecular Formula: C8H4N2S
Molecular Weight: 160.1958

Identification/Properties


Properties
MP:
119-123 °C(lit.)
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Stability:
Lachrymatory
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
160.194g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
160.01g/mol
Monoisotopic Mass:
160.01g/mol
Topological Polar Surface Area:
68.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
214
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


NMR Spectrum


Other Analytical Data


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