3-(3-chlorophenyl)pyrrolidine


Chemical Name: 3-(3-chlorophenyl)pyrrolidine
CAS Number: 914299-59-5
Product Number: AG00GVDW(AGN-PC-01UK2A)
Synonyms:
MDL No:
Molecular Formula: C10H12ClN
Molecular Weight: 181.6620

Identification/Properties


Computed Properties
Molecular Weight:
181.663g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
181.066g/mol
Monoisotopic Mass:
181.066g/mol
Topological Polar Surface Area:
12A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
149
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(3-Chlorophenyl)pyrrolidine is a versatile chemical compound widely used in chemical synthesis due to its unique properties and applications. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals.In organic synthesis, 3-(3-Chlorophenyl)pyrrolidine can be used as a key intermediate in the preparation of complex molecules. Its structural features make it an ideal candidate for introducing functional groups and stereochemical elements into the final product. The presence of the chlorophenyl group provides a handle for further modifications, allowing chemists to tailor the compound's properties to meet specific requirements.Moreover, this compound's pyrrolidine ring imparts structural rigidity and chiral characteristics to the molecules in which it is incorporated. This can be particularly valuable in drug discovery and development, where chirality plays a crucial role in determining a compound's biological activity and pharmacokinetic properties.Overall, the application of 3-(3-Chlorophenyl)pyrrolidine in chemical synthesis exemplifies its significance in modern organic chemistry and its potential to contribute to the advancement of diverse fields, including medicine, agriculture, and materials science.