Skip to the beginning of the images gallery

1-(5-Bromo-2-nitrophenyl)pyrrolidine - 96%, high purity , CAS No.1033201-57-8

COA

Grade & Purity:

≥96%

Cas Number: 1033201-57-8
Molecular Weight: 271.1
PubChem CID: 46738841

In stock

Item Number

B178903

Grouped product items
SKU	Size	Availability	Price	Qty
B178903-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,219.90

Basic Description

Synonyms	1-(5-BROMO-2-NITROPHENYL)PYRROLIDINE \| 1033201-57-8 \| 4-bromo-2-(pyrrolidin-1-yl)nitrobenzene \| SCHEMBL12684759 \| DTXSID50674492 \| MFCD10699604 \| AKOS015834758 \| BS-22638 \| CS-0440042
Specifications & Purity	≥96%
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	Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aryl bromides Pyrroles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - C-nitro compound - Organic nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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-nitrophenyl)pyrrolidine
INCHI	InChI=1S/C10H11BrN2O2/c11-8-3-4-9(13(14)15)10(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKey	UAXQTHTZHXKTCH-UHFFFAOYSA-N
Smiles	C1CCN(C1)C2=C(C=CC(=C2)Br)[N+](=O)[O-]
Isomeric SMILES	C1CCN(C1)C2=C(C=CC(=C2)Br)[N+](=O)[O-]
Molecular Weight	271.1
Reaxy-Rn	22884720
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22884720&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	271.110 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	270 Da
Monoisotopic Mass	270 Da
Topological Polar Surface Area	49.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	238.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration