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2,5-Dichloro-4,6-dimethylnicotinonitrile - 98%, high purity , CAS No.91591-63-8

COA

Grade & Purity:

≥98%

Cas Number: 91591-63-8
Molecular Weight: 201.1
PubChem CID: 334852

In stock

Item Number

D188234

Grouped product items
SKU	Size	Availability	Price
D188234-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D188234-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
D188234-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
D188234-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$168.90

Basic Description

Synonyms	2,5-Dichloro-4,6-dimethylnicotinonitrile \| 91591-63-8 \| 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile \| 3-Pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl- \| 3-Cyano-2,5-dichloro-4,6-dimethylpyridine \| 2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile \| MFCD00052631
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass 3-pyridinecarbonitriles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	3-pyridinecarbonitriles
Intermediate Tree Nodes	Not available
Direct Parent	3-pyridinecarbonitriles
Alternative Parents	Polyhalopyridines Methylpyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Polyhalopyridine - 3-pyridinecarbonitrile - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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	2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile
INCHI	InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
InChIKey	UCGWYTUBYASPFG-UHFFFAOYSA-N
Smiles	CC1=C(C(=NC(=C1Cl)C)Cl)C#N
Isomeric SMILES	CC1=C(C(=NC(=C1Cl)C)Cl)C#N
Molecular Weight	201.1
Reaxy-Rn	9846954
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9846954&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	201.050 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	199.991 Da
Monoisotopic Mass	199.991 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	210.000
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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