Skip to the beginning of the images gallery

8-methylquinoline-4-carbonitrile - 97%, high purity , CAS No.816448-91-6

COA

Grade & Purity:

≥97%

Cas Number: 816448-91-6
Molecular Weight: 168.2
MDL number: MFCD18803243
PubChem CID: 45123364

In stock

Item Number

M638381

Grouped product items
SKU	Size	Availability	Price	Qty
M638381-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$583.90

Basic Description

Synonyms	8-Methylquinoline-4-carbonitrile \| 816448-91-6 \| 4-quinolinecarbonitrile,8-methyl- \| SCHEMBL5759312 \| 8-methyl-4-quinolinecarbonitrile \| SB67765 \| CS-0309394 \| D96506
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Quinolines and derivatives
Alternative Parents	Pyridines and derivatives Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
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	8-methylquinoline-4-carbonitrile
INCHI	InChI=1S/C11H8N2/c1-8-3-2-4-10-9(7-12)5-6-13-11(8)10/h2-6H,1H3
InChIKey	RWKPUGCUZJVFOJ-UHFFFAOYSA-N
Smiles	CC1=C2C(=CC=C1)C(=CC=N2)C#N
Isomeric SMILES	CC1=C2C(=CC=C1)C(=CC=N2)C#N
PubChem CID	45123364
Molecular Weight	168.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.190 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	168.069 Da
Monoisotopic Mass	168.069 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	227.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration