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6-Chloro-3-(trifluoromethyl)picolinonitrile - ≥95%, high purity , CAS No.401590-41-8

COA

Grade & Purity:

≥95%

Cas Number: 401590-41-8
Molecular Weight: 206.56
PubChem CID: 22028216

In stock

Item Number

C730414

Grouped product items
SKU	Size	Availability	Price
C730414-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
C730414-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$112.90
C730414-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$516.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	2-halopyridines
Alternative Parents	Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Cyanide - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
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	6-chloro-3-(trifluoromethyl)pyridine-2-carbonitrile
INCHI	InChI=1S/C7H2ClF3N2/c8-6-2-1-4(7(9,10)11)5(3-12)13-6/h1-2H
InChIKey	SQTMSBJBTATQID-UHFFFAOYSA-N
Smiles	C1=CC(=NC(=C1C(F)(F)F)C#N)Cl
Isomeric SMILES	C1=CC(=NC(=C1C(F)(F)F)C#N)Cl
PubChem CID	22028216
Molecular Weight	206.56

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.550 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	205.986 Da
Monoisotopic Mass	205.986 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	232.000
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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