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N-Butylpyridinium bromide - 99%, high purity , CAS No.874-80-6

3 Citations

COA

Grade & Purity:

≥99%

Cas Number: 874-80-6
Molecular Weight: 216.12
MDL number: MFCD00671496
PubChem CID: 2734238
PubChem SID: 504761090

In stock

Item Number

B102654

Grouped product items
SKU	Size	Availability	Price
B102654-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9.90
B102654-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$25.90
B102654-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$76.90
B102654-50g	50g	2	$138.90
B102654-100g	100g	1	$249.90

View related series

Pyridines (1259) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	N-n-butylpyridinium bromide \| N-Butylpyridiniumbromide \| 1-butylpyridin-1-ium bromide \| Q27894568 \| MFCD00671496 \| Pyridinium, 1-butyl-, bromide \| Q-102716 \| 1-Butylpyridinium bromide \| SCHEMBL382846 \| CAS-874-80-6 \| A842237 \| B1743 \| 1-butylpyridin-1-ium
Specifications & Purity	≥99%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinium derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinium derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinium derivatives
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
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

Pubchem Sid	504761090
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761090
IUPAC Name	1-butylpyridin-1-ium;bromide
INCHI	InChI=1S/C9H14N.BrH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChIKey	KVBQNFMTEUEOCD-UHFFFAOYSA-M
Smiles	CCCC[N+]1=CC=CC=C1.[Br-]
Isomeric SMILES	CCCC[N+]1=CC=CC=C1.[Br-]
WGK Germany	3
Molecular Weight	216.12
Reaxy-Rn	3726159
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3726159&ln=

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

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

Analytical Chart:

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12 results found

Lot Number	Certificate Type	Date	Item
C2317402	Certificate of Analysis	Dec 13, 2024	B102654
G2219735	Certificate of Analysis	Apr 07, 2024	B102654
G2219733	Certificate of Analysis	Apr 07, 2024	B102654
G2219734	Certificate of Analysis	Apr 07, 2024	B102654
G2219736	Certificate of Analysis	Apr 07, 2024	B102654
K2118421	Certificate of Analysis	Aug 14, 2023	B102654
K2118423	Certificate of Analysis	Aug 14, 2023	B102654
K2118422	Certificate of Analysis	Aug 14, 2023	B102654
K2118424	Certificate of Analysis	Aug 14, 2023	B102654
K2118420	Certificate of Analysis	Aug 14, 2023	B102654
K2105522	Certificate of Analysis	Jul 31, 2023	B102654
F2028011	Certificate of Analysis	Apr 27, 2022	B102654

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Chemical and Physical Properties

Sensitivity	Moisture sensitive
Melt Point(°C)	104-107°C
Molecular Weight	216.120 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	215.031 Da
Monoisotopic Mass	215.031 Da
Topological Polar Surface Area	3.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	74.800
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	2

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