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Piperazine, 1-(6-bromo-3-pyridinyl)- - ≥97% , CAS No.412347-39-8

Piperazine, 1-(6-bromo-3-pyridinyl)- - ≥97% , CAS No.412347-39-8

CAS: 412347-39-8 Cat. No.: P176442 Molecular Weight: 242.12 PubChem CID: 9878090

COA

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Piperazine, 1-(6-bromo-3-pyridinyl)- - ≥97% CAS No(412347-39-8) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Canonical Smiles	C1CN(CCN1)C2=CN=C(C=C2)Br
IUPAC Name	1-(6-bromopyridin-3-yl)piperazine
InChIKey	OVRZSDRDBJDKBF-UHFFFAOYSA-N
INCHI	1S/C9H12BrN3/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
Isomeric SMILES	C1CN(CCN1)C2=CN=C(C=C2)Br
PubChem CID	9878090
Molecular Weight	242.12

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives 2-halopyridines Aryl bromides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - 2-halopyridine - Aryl bromide - Pyridine - Aryl halide - Heteroaromatic compound - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
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

3D Structure

Mechanisms of Action

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.120 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	241.021 Da
Monoisotopic Mass	241.021 Da
Topological Polar Surface Area	28.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159.000
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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