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

NAVIGATION

Pyrrole, Reagent

PRICE INQUIRY

Catalog Number

ACM109977

CAS Number

109-97-7

Product Name

Pyrrole, Reagent

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 as a versatile reagent with significant applications across various industries. Its primary purpose lies in its role as a reactive chemical intermediate, valued for its ability to undergo electrophilic substitution, particularly at the C-2 and C-5 positions. Owing to its unique electronic structure, pyrrole is instrumental in the synthesis of a diverse range of products, including dyes, pharmaceuticals, and agrochemicals. It is employed in the development of medications, such as anti-inflammatory drugs and those targeting the central nervous system, as well as antimicrobial agents like fungicides and bactericides. Pyrrole's utility extends to its involvement in the electropolymerization of conducting polymer films and as a catalyst in polymerization processes. It is also utilized in chromatographic analysis as a standard substance, in corrosion inhibition, and as a solvent for resins and terpenes. Additionally, pyrrole plays a role in organic reactions like the Ciamician-Dennstedt rearrangement and is involved in the preparation of specialized compounds, including 3-chloropyridine and certain benzoyl derivatives. The polymer forms of pyrrole are especially noteworthy for their application in modifying electrode surfaces and preparing photoconductive materials. Thus, pyrrole's extensive reactivity and versatility underline its importance across multiple chemical and industrial applications.

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