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3-(6-Formylpyridin-2-yl)benzonitrile - 97%, high purity , CAS No.834884-80-9

COA

Grade & Purity:

≥97%

Cas Number: 834884-80-9
Molecular Weight: 208.22
MDL number: MFCD06410033
PubChem CID: 1519480

In stock

Item Number

F469727

Grouped product items
SKU	Size	Availability	Price	Qty
F469727-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$212.90

Basic Description

Synonyms	MFCD06410033 \| 3-(6-Formyl-2-pyridyl)benzonitrile \| A1-20949 \| AKOS027380141 \| 3-(6-Formylpyridin-2-yl)benzonitrile \| SCHEMBL19212699 \| AB23912 \| DTXSID40364052 \| 3-(6-Formylpyridin-2-yl)benzonitrile, 97%
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	Pyridine carboxaldehydes Benzonitriles Aryl-aldehydes Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylpyridine - Benzonitrile - 2-pyridine carboxaldehyde - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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	3-(6-formylpyridin-2-yl)benzonitrile
INCHI	InChI=1S/C13H8N2O/c14-8-10-3-1-4-11(7-10)13-6-2-5-12(9-16)15-13/h1-7,9H
InChIKey	SBBBRGAVNLQEHG-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C2=CC=CC(=N2)C=O)C#N
Isomeric SMILES	C1=CC(=CC(=C1)C2=CC=CC(=N2)C=O)C#N
WGK Germany	3
Molecular Weight	208.22
Reaxy-Rn	30523666
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30523666&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	208.210 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	208.064 Da
Monoisotopic Mass	208.064 Da
Topological Polar Surface Area	53.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	294.000
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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