1H-Pyrrole-3-carbaldehyde - ≥97% , CAS No.7126-39-8

CAS: 7126-39-8 Cat. No.: H589972 Peso molecular: 95.10 Número EC: 811-926-7

GRADE & PURITY ≥97%

Synonyms

PYRROLE-3-CARBALDEHYDE | AM20100673 | 3-Formylpyrrole | 3-formyl-pyrrole | DTXSID40348716 | Pyrrol-3-aldehyde | AC-4315 | Pyrrole-3-carboxaldehyde | pyrrole-3-aldehyde | P2728 | Z1154253206 | PS-9356 | EN300-85521 | BCP05260 | 1H-pyrrole-3-carbaldehyde |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

PYRROLE-3-CARBALDEHYDE | AM20100673 | 3-Formylpyrrole | 3-formyl-pyrrole | DTXSID40348716 | Pyrrol-3-aldehyde | AC-4315 | Pyrrole-3-carboxaldehyde | pyrrole-3-aldehyde | P2728 | Z1154253206 | PS-9356 | EN300-85521 | BCP05260 | 1H-pyrrole-3-carbaldehyde |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CNC=C1C=O
• IUPAC Name: 1H-pyrrole-3-carbaldehyde
• InChIKey: CHNYVNOFAWYUEG-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO/c7-4-5-1-2-6-3-5/h1-4,6H
• Isómeros SMILES: C1=CNC=C1C=O
• CAS alternativo: 7126-39-8
• Peso molecular: 95.10
• Reaxy-Rn: 1523918
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1523918&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 63-68℃
• Punto de fusión (°C): 100 °C/0.05 mmHg
• Peso molecular: 95.100 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 95.0371 Da
• Monoisotopic Mass: 95.0371 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yi Liu, Shuangjiang Li, Manoj Pudukudy, Li Lin, Huigui Yang, Mengrui Li, Shaoyun Shan, Tianding Hu, Yunfei Zhi.  (2023)  Melamine-based nitrogen-heterocyclic polymer networks as efficient platforms for CO2 adsorption and conversion.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.125645]