CAS 109-97-7 Pyrrole - Materials / Alfa Chemistry

NAVIGATION

Pyrrole

PRICE INQUIRY

Catalog Number

ACM109977-1

CAS Number

109-97-7

Product Name

Pyrrole

Structure

Category

Polymers

Description

Liquid;Liquid;Colourless to yellowish liquid; Nutty, sweet, warm, ethereal aroma

IUPAC Name

1H-pyrrole

Molecular Weight

67.09g/mol

Molecular Formula

C4H5N

Canonical SMILES

C1=CNC=C1

InChI

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

InChI Key

KAESVJOAVNADME-UHFFFAOYSA-N

Boiling Point

129.7 °C;129.7 °C

Melting Point

-23.4 °C;Mp -24 °;-23.4 °C;-24°C

Flash Point

102 °F (39 °C) (CLOSED CUP)

Density

d204 0.97;0.9698 @ 20 °C;0.955-0.975

Solubility

0.67 M;45 mg/mL at 25 °C;Soluble in alcohol, ether and dilute acids. Also soluble in most organic chemicals.;Water solubility: 4.5X10+4 mg/l @ 25 °C;45 mg/mL at 25 °C;Soluble in most fixed oils; Slightly soluble in water;Soluble (in ethanol)

Application

Pyrrole serves a multifaceted purpose within chemical and industrial applications due to its unique electronic structure that includes six π-electrons delocalized over its five-membered ring, enhancing its stability. This delocalization also involves the nitrogen atom's lone pair, which diminishes its basicity and makes it less prone to electrophilic enzymatic attacks, though it remains highly reactive to electrophilic substitution at certain positions. Pyrrole is integral in synthesizing various substances, including drugs, spices, dyes, and agrochemicals. It also contributes to polymer science, acting as a catalyst and solvent, and is important in several industrial processes like chromatography and corrosion prevention. Pyrrole derivatives find crucial roles in pharmaceuticals as anti-inflammatory and central nervous system drugs, alongside uses in antimicrobial applications such as fungicides and bactericides. Moreover, pyrrole polymers are significant in developing photoconductive materials and modifying electrode surfaces, making it a valuable chemical intermediate in numerous synthetic pathways.

Color/Form

Colorless liquid when fresh;Yellowish or brown oil

Complexity

22.8

Covalently-Bonded Unit Count

EC Number

240-327-8;203-724-7

Exact Mass

67.042199g/mol

Formal Charge

Heat of Vaporization

10.79 kcla/mol @ 25 °C

Heavy Atom Count

Log P

0.75 (LogP);0.75;log Kow = 0.75;0.75

MeSH Entry Terms

polypyrrole

Monoisotopic Mass

67.042199g/mol

NSC Number

72470;62777

Odor

Agreeable empyreumatic odor resembling that of chloroform

Other Experimental

Polymerizes under influence of acids and glycols; soln in dil hydrogen chloride yield pyrrole red, an amorphous, orange-colored substance;Decomposes in acid; Conversion factors: 1 mg/l= 3.64 ppm; 1 ppm= 2.74 mg/cu m;Hydroxyl radical rate constant = 1.1X10-10 cu m/molc-sec @ 25 °C;Henry's Law constant = 1.80X10-5 atm-cu m/mol @ 25 °C;Hygroscopic

Refractive Index

n20D 1.5085;Index of refraction: 1.5085 @ 20 °C/D;1.507-1.510

Rotatable Bond Count

Stability

DARKENS ON STANDING WITH EXPOSURE TO AIR.

UNII

86S1ZD6L2C

Vapor Density

2.31 (Air= 1)

Vapor Pressure

8.36 mmHg;8.35 mm Hg @ 25 dec C

Viscosity