chempirical

Pyrrole

C4H5NCAS 109-97-767.09 g/mol

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HN

Properties

Molecular formula
C4H5N
Molar mass
67.09 g/mol
Exact mass
67.0422 Da
Density
0.9698 g/mL (at 20 °C)
Melting point
−23.4 °C
Boiling point
129.7 °C
pKa
-3.8 (protonated form), 17.5
Flash point
38.9 °C (closed cup)
logP
1.01Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,442 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

Identifiers

CAS number
109-97-7
SMILES
c1cc[nH]c1
InChIKey
KAESVJOAVNADME-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H

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Names and synonyms

7 names
  • 1H-Pyrrole
  • 1-Aza-2,4-cyclopentadiene
  • Azole
  • Divinylenimine
  • Imidole
  • Monopyrrole
  • NSC 62777

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 109-97-7. Each row opens the sheet with its composition and PDF.

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Work with Pyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

Allyl cyanide109-75-1 Methacrylonitrile126-98-7 2-Butenenitrile4786-20-3 Cyclopropyl cyanide5500-21-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia