Cyclopropanecarbonitrile, 1-phenyl-


Chemical Name: Cyclopropanecarbonitrile, 1-phenyl-
CAS Number: 935-44-4
Product Number: AG003EMF(AGN-PC-0JL9LD)
Synonyms:
MDL No:
Molecular Formula: C10H9N
Molecular Weight: 143.1852

Identification/Properties


Properties
BP:
238.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.539(lit.)
Computed Properties
Molecular Weight:
143.189g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
143.073g/mol
Monoisotopic Mass:
143.073g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
188
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

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NMR Spectrum


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Chemical Structure



1-Phenyl-1-cyclopropanecarbonitrile is a versatile compound widely utilized in chemical synthesis for its unique reactivity and structural features. This compound serves as a valuable building block in organic chemistry, particularly in the preparation of complex molecules and pharmaceuticals. Its rigid cyclopropane ring and phenyl group provide steric and electronic properties that can influence the outcome of various reactions, making it a valuable tool for synthetic chemists. In addition, the carbonitrile functional group offers opportunities for further derivatization through the introduction of additional chemical moieties, expanding the scope of potential applications in synthesis.