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5-(difluoromethyl)pyridine-2-carbonitrile - 97%, high purity , CAS No.1211540-57-6

COA

Grade & Purity:

≥97%

Cas Number: 1211540-57-6
Molecular Weight: 154.12
MDL number: MFCD18256046
PubChem CID: 67085859

In stock

Item Number

P627407

Grouped product items
SKU	Size	Availability	Price
P627407-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
P627407-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,553.90
P627407-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,105.90

Basic Description

Synonyms	5-(Difluoromethyl)picolinonitrile \| 1211540-57-6 \| 5-(difluoromethyl)pyridine-2-carbonitrile \| 5-(Difluoromethyl)-2-pyridinecarbonitril \| SCHEMBL1584837 \| TQU0455 \| 2-Cyano-5-(difluoromethyl)pyridine \| MFCD18256046 \| PB39894 \| AS-78958 \| CS-0056086
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyridines and derivatives
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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	5-(difluoromethyl)pyridine-2-carbonitrile
INCHI	InChI=1S/C7H4F2N2/c8-7(9)5-1-2-6(3-10)11-4-5/h1-2,4,7H
InChIKey	JSTITLJMBYUEOW-UHFFFAOYSA-N
Smiles	C1=CC(=NC=C1C(F)F)C#N
Isomeric SMILES	C1=CC(=NC=C1C(F)F)C#N
PubChem CID	67085859
Molecular Weight	154.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	154.120 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	154.034 Da
Monoisotopic Mass	154.034 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	173.000
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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