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2-Fluoro-1-methylpyridinium p-toluenesulfonate - ≥98%, high purity , CAS No.58086-67-2

COA

Grade & Purity:

≥98%

Cas Number: 58086-67-2
Molecular Weight: 283.32
Beilstein Registry Number: 4345357
EC Number: 261-108-3
MDL number: MFCD00011983
PubChem CID: 171631
PubChem SID: 504757664

In stock

Item Number

F139031

Grouped product items
SKU	Size	Availability	Price
F139031-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$23.90
F139031-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$90.90
F139031-25g	25g	2	$234.90

View related series

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

Basic Description

Synonyms	J-509354 \| 2-fluoro-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate \| SCHEMBL103421 \| MFCD00011983 \| 2-Fluoro-1-methylpyridin-1-ium 4-methylbenzenesulfonate \| 2-Fluoro-1-methylpyridinium tosylate \| O-(Dichloro(methylthio)phenyl) O,O-diethyl phosphorothi
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Methylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	N-methylpyridinium compounds
Alternative Parents	2-halopyridines Pyridinium derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic salts Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	N-methylpyridinium - 2-halopyridine - Pyridinium - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-methylpyridinium compounds. These are methylpyridines that carry a methyl group at the 1-position.
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	504757664
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757664
IUPAC Name	2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate
INCHI	InChI=1S/C7H8O3S.C6H7FN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1
InChIKey	HQWDKLAIDBOLFE-UHFFFAOYSA-M
Smiles	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F
WGK Germany	3
Molecular Weight	283.32
Beilstein	4345357
Reaxy-Rn	4345357
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4345357&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
I2122102	Certificate of Analysis	Mar 07, 2024	F139031

Chemical and Physical Properties

Solubility	Soluble in water (hydrolyzes), DMSO, dichloromethane, and acetonitrile.
Sensitivity	Moisture sensitive
Melt Point(°C)	132 °C
Molecular Weight	283.320 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	283.068 Da
Monoisotopic Mass	283.068 Da
Topological Polar Surface Area	69.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	268.000
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	2

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