3-Pyridineacetonitrile


Chemical Name: 3-Pyridineacetonitrile
CAS Number: 6443-85-2
Product Number: AG003F4F(AGN-PC-0JLSXA)
Synonyms:
MDL No:
Molecular Formula: C7H6N2
Molecular Weight: 118.1359

Identification/Properties


Properties
BP:
275.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.529(lit.)
Computed Properties
Molecular Weight:
118.139g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
118.053g/mol
Monoisotopic Mass:
118.053g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
122
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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