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1-Methyl-1H-pyrrole-3-carbonitrile - Reagent Grade, high purity , CAS No.7126-46-7

COA

Grade & Purity:

Reagent Grade

Cas Number: 7126-46-7
Molecular Weight: 106.13
MDL number: MFCD11111734
PubChem CID: 12730479

In stock

Item Number

M479393

Grouped product items
SKU	Size	Availability	Price	Qty
M479393-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90

Basic Description

Specifications & Purity	Reagent grade
Grade	Reagent Grade

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles
      - Level5 N-substituted pyrroles
        Level6 N-methylpyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	N-substituted pyrroles
Direct Parent	N-methylpyrroles
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-methylpyrrole - 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 n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole.
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	1-methylpyrrole-3-carbonitrile
INCHI	InChI=1S/C6H6N2/c1-8-3-2-6(4-7)5-8/h2-3,5H,1H3
InChIKey	VZSLEHOZJCZYJD-UHFFFAOYSA-N
Smiles	CN1C=CC(=C1)C#N
Isomeric SMILES	CN1C=CC(=C1)C#N
Molecular Weight	106.13
Reaxy-Rn	471448
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471448&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Molecular Weight	106.130 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	106.053 Da
Monoisotopic Mass	106.053 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	122.000
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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