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2-(Chloromethyl)-4-methoxy-3，5-dimethylpyridine 1-oxide - ≥95%, high purity , CAS No.848694-10-0

COA

Grade & Purity:

≥95%

Cas Number: 848694-10-0
Molecular Weight: 201.65
MDL number: MFCD27929719
PubChem CID: 21882943

In stock

Item Number

M769816

Grouped product items
SKU	Size	Availability	Price	Qty
M769816-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$538.90
M769816-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,603.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Alkyl aryl ethers
Alternative Parents	Methylpyridines Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alkyl aryl ether - Methylpyridine - Pyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alkyl chloride - Organic salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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	2-(chloromethyl)-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium
INCHI	InChI=1S/C9H12ClNO2/c1-6-5-11(12)8(4-10)7(2)9(6)13-3/h5H,4H2,1-3H3
InChIKey	LWEDMPDRWLOJDD-UHFFFAOYSA-N
Smiles	CC1=C[N+](=C(C(=C1OC)C)CCl)[O-]
Isomeric SMILES	CC1=C[N+](=C(C(=C1OC)C)CCl)[O-]
PubChem CID	21882943
Molecular Weight	201.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	201.650 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	201.056 Da
Monoisotopic Mass	201.056 Da
Topological Polar Surface Area	34.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	168.000
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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