1003-29-8
Product Name:
Pyrrole-2-carboxaldehyde
Formula:
C5H5NO
Synonyms:
2-Formylpyrrole;2-Pyrrolecarbaldehyde;Pyrrole-2-aldehyde, Pyrrole-2-carboxaldehyde, 2-Formylpyrrole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Light yellow crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 216.00 to 218.00 °C. @ 760.00 mm Hg |
| Melting Point | 50 - 51 °C |
| Vapor Pressure | 0.32 [mmHg] |
| LogP | 0.64 |
| Kovats Retention Index | 1023 971 1005 1024.2 986 983 989 997 |
| Chemical Classes | Nitrogen Compounds -> Pyrroles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 95.10 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 95.037113783 g/mol |
| Monoisotopic Mass | 95.037113783 g/mol |
| Topological Polar Surface Area | 32.9 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 72.5 |
| 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
Pyrrole-2-carboxaldehyde is a pyrrole carrying a formyl substituent at the 2-position. It is a member of pyrroles and a 1,3-thiazole-2-carbaldehyde.