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2-(3，4-Difluorophenyl)pyrrolidine - ≥95%, high purity , CAS No.298690-75-2

COA

Grade & Purity:

≥95%

Cas Number: 298690-75-2
Molecular Weight: 183.2
PubChem CID: 21706777

In stock

Item Number

P730117

Grouped product items
SKU	Size	Availability	Price	Qty
P730117-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$780.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Phenylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Phenylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolidines
Alternative Parents	Fluorobenzenes Aralkylamines Aryl fluorides Pyrroles Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylpyrrolidine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Azacycle - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(3,4-difluorophenyl)pyrrolidine
INCHI	InChI=1S/C10H11F2N/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey	SZPJRABUCTXGIN-UHFFFAOYSA-N
Smiles	C1CC(NC1)C2=CC(=C(C=C2)F)F
Isomeric SMILES	C1CC(NC1)C2=CC(=C(C=C2)F)F
Alternate CAS	298690-75-2
PubChem CID	21706777
Molecular Weight	183.2

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	183.200 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	183.086 Da
Monoisotopic Mass	183.086 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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