Cyclopropanecarbonitrile, 1-(2-fluorophenyl)-


Chemical Name: Cyclopropanecarbonitrile, 1-(2-fluorophenyl)-
CAS Number: 97009-38-6
Product Number: AG005S9C(AGN-PC-02R8WZ)
Synonyms:
MDL No:
Molecular Formula: C10H8FN
Molecular Weight: 161.1756

Identification/Properties


Properties
BP:
276.5°C/760mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
161.179g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
161.064g/mol
Monoisotopic Mass:
161.064g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
223
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(2-Fluorophenyl)cyclopropanecarbonitrile is a versatile compound widely used in chemical synthesis due to its unique structural properties. This specific derivative plays a crucial role in the synthesis of various pharmaceutical intermediates and agrochemicals. Its incorporation into organic reactions offers a convenient route to access complex molecules with structural diversity.The presence of the cyclopropane ring provides rigidity and strain, making it a valuable building block for creating chiral compounds and functionalized cyclopropanes. Additionally, the cyano group (CN) in the molecule serves as a versatile handle for further derivatization, enabling the introduction of a wide range of functional groups for fine-tuning the physical and chemical properties of the target molecules.One particular application of 1-(2-Fluorophenyl)cyclopropanecarbonitrile is in the synthesis of biologically active compounds, where its unique structural features can impart desired pharmacological properties. By strategically incorporating this molecule into key synthetic pathways, chemists can access novel scaffolds for drug discovery and development.