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1-Bromo-3-fluoro-5-pyrrolidinobenzene - 98%, high purity , CAS No.1199773-24-4

COA

Grade & Purity:

≥98%

Cas Number: 1199773-24-4
Molecular Weight: 244.1
PubChem CID: 53216219

In stock

Item Number

B180056

Grouped product items
SKU	Size	Availability	Price
B180056-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
B180056-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$245.90
B180056-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,105.90

Discover 1-Bromo-3-fluoro-5-pyrrolidinobenzene by Aladdin Scientific in 98% for only $70.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-(3-Bromo-5-fluorophenyl)pyrrolidine \| 1199773-24-4 \| 1-Bromo-3-fluoro-5-pyrrolidinobenzene \| Pyrrolidine, 1-(3-bromo-5-fluorophenyl)- \| SCHEMBL12496993 \| DTXSID60681475 \| MFCD13195637 \| AKOS015835382 \| AM86386 \| BS-20031 \| CS-0194435 \| N11548 \| EN300-3545963 \| A892372 \| Z126911243
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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	Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Pyrroles Azacyclic compounds Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrolidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Pyrrole - Tertiary amine - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - 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	1-(3-bromo-5-fluorophenyl)pyrrolidine
INCHI	InChI=1S/C10H11BrFN/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
InChIKey	KYLDQIFHZFNDFI-UHFFFAOYSA-N
Smiles	C1CCN(C1)C2=CC(=CC(=C2)Br)F
Isomeric SMILES	C1CCN(C1)C2=CC(=CC(=C2)Br)F
Molecular Weight	244.1
Reaxy-Rn	22884716
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22884716&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	244.100 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	243.006 Da
Monoisotopic Mass	243.006 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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