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1H-pyrrole-2-carbonitrile - ≥97%, high purity , CAS No.4513-94-4

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 4513-94-4
Molecular Weight: 92.1
MDL number: MFCD00234061
PubChem CID: 138277

In stock

Item Number

H736491

Grouped product items
SKU	Size	Availability	Price	Qty
H736491-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
H736491-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

Basic Description

Synonyms	Pyrrole-2-carbonitrile \| 2-Cyanopyrrole \| NSC 10605
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Pyrrole-2-carbonitrile is useful in addition reactions and in heterocycle formation. It acts as a heterocyclic building block in synthetic chemistry. Further, it is used in the preparation of 4-iodopyrrole-2-carbonitrile.

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	Substituted pyrroles
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Substituted pyrrole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
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	1H-pyrrole-2-carbonitrile
INCHI	InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7H
InChIKey	BQMPGKPTOHKYHS-UHFFFAOYSA-N
Smiles	C1=CNC(=C1)C#N
Isomeric SMILES	C1=CNC(=C1)C#N
WGK Germany	3
Molecular Weight	92.1
Reaxy-Rn	107047
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107047&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
F2527440	Certificate of Analysis	Jul 08, 2025	H736491

Chemical and Physical Properties

Solubility	Miscible with benzene, dichloromethane, tertrahydrofuran, dimethylformamide and acetonitrile.
Sensitivity	Air & Light Sensitive
Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Boil Point(°C)	92-94°C/2mmHg
Molecular Weight	92.100 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	92.0374 Da
Monoisotopic Mass	92.0374 Da
Topological Polar Surface Area	39.600 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	99.900
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

Citations of This Product

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