Cyclopropanecarbonitrile, 1-(3,4-dichlorophenyl)-


Chemical Name: Cyclopropanecarbonitrile, 1-(3,4-dichlorophenyl)-
CAS Number: 124276-57-9
Product Number: AG000LSH(AGN-PC-00CFAH)
Synonyms:
MDL No:
Molecular Formula: C10H7Cl2N
Molecular Weight: 212.0753

Identification/Properties


Computed Properties
Molecular Weight:
212.073g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
210.996g/mol
Monoisotopic Mass:
210.996g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
251
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile is a highly versatile compound widely utilized in chemical synthesis due to its unique properties and diverse applications. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and advanced materials. With its cyclopropane ring providing structural rigidity and the presence of electron-withdrawing cyano and chloro groups enhancing reactivity, this compound enables the efficient synthesis of complex molecular structures through a variety of chemical transformations. Its introduction into multi-step synthetic schemes allows for the rapid and precise construction of target molecules, making it a valuable tool for organic chemists in the design and production of new functional materials and bioactive compounds.