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

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Pyrrole

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Catalog Number

ACM109977-1

Product Name

Pyrrole

Structure

CAS

109-97-7

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)

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