Skip to the beginning of the images gallery

1-(4-Cyanophenyl)-2,5-dimethylpyrrole - >98.0%(GC), high purity , CAS No.119516-86-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 119516-86-8
Molecular Weight: 196.25
PubChem CID: 3787857

In stock

Item Number

C153502

Grouped product items
SKU	Size	Availability	Price	Qty
C153502-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
C153502-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$236.90

Basic Description

Synonyms	1-(4-Cyanophenyl)-2,5-dimethylpyrrole \| 119516-86-8 \| 4-(2,5-dimethylpyrrol-1-yl)benzonitrile \| 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile \| Benzonitrile, 4-(2,5-dimethyl-1H-pyrrol-1-yl)- \| OSM-A-7 \| SCHEMBL16604399 \| DTXSID40396414 \| MFCD03228548 \| STK196892 \| AKOS00028555
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrroles
Alternative Parents	Benzonitriles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrole - Benzonitrile - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole 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	4-(2,5-dimethylpyrrol-1-yl)benzonitrile
INCHI	InChI=1S/C13H12N2/c1-10-3-4-11(2)15(10)13-7-5-12(9-14)6-8-13/h3-8H,1-2H3
InChIKey	FNDFKQYZEDOHRC-UHFFFAOYSA-N
Smiles	CC1=CC=C(N1C2=CC=C(C=C2)C#N)C
Isomeric SMILES	CC1=CC=C(N1C2=CC=C(C=C2)C#N)C
Molecular Weight	196.25
Reaxy-Rn	5333509
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5333509&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
G2429044	Certificate of Analysis	May 16, 2024	C153502

Chemical and Physical Properties

Molecular Weight	196.250 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	196.1 Da
Monoisotopic Mass	196.1 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	247.000
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