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1-(5-Bromo-2-chlorophenyl)pyrrolidine - 97%, high purity , CAS No.1261959-78-7

COA

Grade & Purity:

≥97%

Cas Number: 1261959-78-7
Molecular Weight: 260.6
PubChem CID: 53217072

In stock

Item Number

B180899

Grouped product items
SKU	Size	Availability	Price	Qty
B180899-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$845.90
B180899-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,253.90

Basic Description

Synonyms	1-(5-Bromo-2-chlorophenyl)pyrrolidine \| 1261959-78-7 \| 4-Bromo-1-chloro-2-pyrrolidinobenzene \| DTXSID10682179 \| MFCD18311878 \| AKOS015834759 \| BS-20325 \| Pyrrolidine, 1-(5-bromo-2-chlorophenyl)- \| CS-0211404 \| A889537
Specifications & Purity	≥97%
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 Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Pyrroles Azacyclic compounds Organopnictogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrolidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Pyrrole - Tertiary amine - Azacycle - Organochloride - 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-(5-bromo-2-chlorophenyl)pyrrolidine
INCHI	InChI=1S/C10H11BrClN/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKey	YHSHHIFONFVBHU-UHFFFAOYSA-N
Smiles	C1CCN(C1)C2=C(C=CC(=C2)Br)Cl
Isomeric SMILES	C1CCN(C1)C2=C(C=CC(=C2)Br)Cl
PubChem CID	53217072
Molecular Weight	260.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	260.560 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	258.976 Da
Monoisotopic Mass	258.976 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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