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3-Bromo-5-nitro-2-(piperidin-1-yl)pyridine - 98%, high purity , CAS No.1065074-87-4

COA

Grade & Purity:

≥98%

Cas Number: 1065074-87-4
Molecular Weight: 286.1
PubChem CID: 46738881

In stock

Item Number

B179105

Grouped product items
SKU	Size	Availability	Price	Qty
B179105-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,045.90
B179105-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,566.90

Basic Description

Synonyms	3-Bromo-5-nitro-2-(piperidin-1-yl)pyridine \| 1065074-87-4 \| 3-bromo-5-nitro-2-piperidin-1-ylpyridine \| DTXSID60674529 \| MFCD11053787 \| AKOS015834051 \| SB43665 \| BS-23071 \| CS-0207811 \| A895786
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	Dialkylarylamines Aminopyridines and derivatives Piperidines Imidolactams Aryl bromides Heteroaromatic compounds 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	Nitroaromatic compound - Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Piperidine - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary amine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Amine - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
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	3-bromo-5-nitro-2-piperidin-1-ylpyridine
INCHI	InChI=1S/C10H12BrN3O2/c11-9-6-8(14(15)16)7-12-10(9)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKey	NRAXSTYTCXKRLR-UHFFFAOYSA-N
Smiles	C1CCN(CC1)C2=C(C=C(C=N2)[N+](=O)[O-])Br
Isomeric SMILES	C1CCN(CC1)C2=C(C=C(C=N2)[N+](=O)[O-])Br
Molecular Weight	286.1
Reaxy-Rn	36535500
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36535500&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	286.130 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	285.011 Da
Monoisotopic Mass	285.011 Da
Topological Polar Surface Area	62.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253.000
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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