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2-Chloro-5-(trifluoromethyl)isonicotinonitrile - 97%, high purity , CAS No.1260782-19-1

COA

Grade & Purity:

≥97%

Cas Number: 1260782-19-1
Molecular Weight: 206.55
EC Number: ‘813-376-3
PubChem CID: 53416791
PubChem SID: 504771232

In stock

Item Number

C586842

Grouped product items
SKU	Size	Availability	Price
C586842-250mg	250mg	3	$63.90
C586842-1g	1g	2	$208.90
C586842-5g	5g	1	$936.90

Basic Description

Synonyms	2-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-4-CARBONITRILE \| BS-14777 \| 2-chloro-5-(trifluoromethyl)isonicotinonitrile \| OKPDZBFTNATSFA-UHFFFAOYSA-N \| 1260782-19-1 \| SCHEMBL19844883 \| s11330 \| MFCD11848361 \| AKOS027344890
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - 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

Pubchem Sid	504771232
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771232
IUPAC Name	2-chloro-5-(trifluoromethyl)pyridine-4-carbonitrile
INCHI	InChI=1S/C7H2ClF3N2/c8-6-1-4(2-12)5(3-13-6)7(9,10)11/h1,3H
InChIKey	OKPDZBFTNATSFA-UHFFFAOYSA-N
Smiles	C1=C(C(=CN=C1Cl)C(F)(F)F)C#N
Isomeric SMILES	C1=C(C(=CN=C1Cl)C(F)(F)F)C#N
Molecular Weight	206.55
Reaxy-Rn	32469038
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32469038&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K2303314	Certificate of Analysis	Sep 14, 2023	C586842
K2303358	Certificate of Analysis	Sep 14, 2023	C586842
K2303313	Certificate of Analysis	Sep 14, 2023	C586842
K2303312	Certificate of Analysis	Sep 14, 2023	C586842
K2303315	Certificate of Analysis	Sep 14, 2023	C586842
K2303311	Certificate of Analysis	Sep 14, 2023	C586842

Chemical and Physical Properties

Molecular Weight	206.550 g/mol
XLogP3	2.400
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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