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] |
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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 |
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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 |
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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.