Pyrrole - ≥99% , CAS No.109-97-7

CAS: 109-97-7 Cat. No.: P104879 Formula: C₄H₅N Molecular Weight: 67.09 Beilstein Registry Number: 1159 EC Number: 203-724-7

GRADE & PURITY ≥99%

Synonyms

Imidole | 1-Aza-2,4-cyclopentadiene | Azole | Divinylenimine | 1H-Pyrrole | Monopyrrole

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

Overview

Pyrrole is a heterocyclic aromatic compound that can undergo electrophilic aromatic substitution.

Specifications

Synonyms

Imidole | 1-Aza-2,4-cyclopentadiene | Azole | Divinylenimine | 1H-Pyrrole | Monopyrrole

Specifications & Purity

≥99%

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Pubchem Sid

504751548

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751548

Canonical Smiles

C1=CNC=C1

IUPAC Name

1H-pyrrole

InChIKey

KAESVJOAVNADME-UHFFFAOYSA-N

INCHI

1S/C4H5N/c1-2-4-5-3-1/h1-5H

Isomeric SMILES

C1=CNC=C1

WGK Germany

2

RTECS

UX9275000

UN Number

1992

Packing Group

III

Molecular Weight

67.09

Beilstein

1159

Reaxy-Rn

1159

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1159&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Pyrroles Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: a pyrrole

Data sources

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

Associated Targets(Human)

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with alcohol, ethyl ether, dilute acids and organic solvents. Immiscible with water
• Sensitivity: Light, Air, Moisture and Heat Sensitive
• Refractive Index: 1.508
• Flash Point(°F): 96.8 °F - closed cup
• Flash Point(°C): 36°C
• Boil Point(°C): 131°C
• Melt Point(°C): -23°C
• Molecular Weight: 67.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 67.0422 Da
• Monoisotopic Mass: 67.0422 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.800
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 109-97-7, the molecular formula is C4H5N, and the molecular weight is 67.09 g/mol. InChIKey KAESVJOAVNADME-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.