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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 12:13, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 462609553 of page Pyrrole for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 12:13, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 462609553 of page Pyrrole for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 462609553 of page Pyrrole with values updated to verified values.
Pyrrole
Explicit structural formula of pyrrole, with aromaticity indicated by dashed bonds
Explicit structural formula of pyrrole, with aromaticity indicated by dashed bonds
Numbered skeletal formula of pyrrole
Numbered skeletal formula of pyrrole
Ball-and-stick model of the pyrrole molecule
Ball-and-stick model of the pyrrole molecule
Space-filling model of the pyrrole molecule
Space-filling model of the pyrrole molecule
Names
IUPAC name 1H-Pyrrole
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1159
ChEBI
ChEMBL
ChemSpider
EC Number
  • 203-724-7
Gmelin Reference 1705
PubChem CID
RTECS number
  • UX9275000
UNII
UN number 1992, 1993
InChI
  • InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5HKey: KAESVJOAVNADME-UHFFFAOYSA-N
  • InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H
SMILES
  • N1C=CC=C1
  • c1ccc1
Properties
Chemical formula C4H5N
Molar mass 67.091 g·mol
Density 0.967 g cm
Melting point −23 °C (−9 °F; 250 K)
Vapor pressure 7 mmHg at 23 °C
Viscosity 0.001225 Pa s
Thermochemistry
Heat capacity (C) 1.903 J k mol k
Std enthalpy of
formation (ΔfH298) 		108.2 kJ mol (gas)
Std enthalpy of
combustion (ΔcH298) 		2242 kJ mol
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 2 0
Flash point 33.33 °C
Explosive limits 3.1-14.8%
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound