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30604-81-0

30604-81-0 structural image
Product Name: POLYPYRROLE
Formula: C4H5N
Synonyms: PPy
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid with an agreeable odor like chloroform; Darkens on standing if oxygen not completely removed; [Merck Index] Yellowish or brown liquid; Turns brown when polymerized by light; [Hawley] Hygroscopic; [HSDB] Colorless liquid; [MSDSonline]
Color/Form Colorless liquid when fresh
Odor Agreeable empyreumatic odor resembling that of chloroform
Taste Burning, pungent taste
Boiling Point 129.7 °C
Melting Point -23.4 °C
Flash Point 102 °F (39 °C) (CLOSED CUP)
Solubility Soluble in alcohol, ether and dilute acids. Also soluble in most organic chemicals.
Density 0.9698 @ 20 °C
Vapor Density 2.31 (Air= 1)
Vapor Pressure 8.36 [mmHg]
LogP log Kow = 0.75
Henry's Law Constant Henry's Law constant = 1.80X10-5 atm-cu m/mol @ 25 °C
Stability/Shelf Life DARKENS ON STANDING WITH EXPOSURE TO AIR.
Decomposition WHEN HEATED TO DECOMPOSITION IT EMITS HIGHLY TOXIC FUMES OF NITROXIDES.
Viscosity 4.1123X10-3 Pa.s @ 249.74K
Heat of Combustion -2.2418X10+9 J/kmol
Heat of Vaporization 10.79 kcla/mol @ 25 °C
Surface Tension 4.3079X10+2 N/m @ 249.74K
Refractive Index Index of refraction: 1.5085 @ 20 °C/D
Dissociation Constants pKa= 17.5
Kovats Retention Index 731 733 739 727 747 747 706 733 740 723 725 733 730 731.8 733 755 727 728 768 755
Other Experimental Properties Polymerizes under influence of acids and glycols; soln in dil hydrogen chloride yield pyrrole red, an amorphous, orange-colored substance
Chemical Classes Nitrogen Compounds -> Pyrroles

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
Precautionary Statement Codes P281:Use personal protective equipment as required.

COMPUTED DESCRIPTORS

Molecular Weight 67.09 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 67.042199164 g/mol
Monoisotopic Mass 67.042199164 g/mol
Topological Polar Surface Area 15.8 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 22.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1H-pyrrole is a tautomer of pyrrole that has the double bonds at positions 2 and 4. It is a pyrrole and a secondary amine. It is a tautomer of a 2H-pyrrole and a 3H-pyrrole.