2-Ethylpyrrole - ≥96%(GC) , CAS No.1551-06-0

CAS: 1551-06-0 Cat. No.: E156214 Fórmula: C₆H₉N Peso molecular: 95.15 Beilstein Registry Number: 20(5)5,61 Número EC: 624-276-2

GRADE & PURITY ≥96%(GC)

Synonyms

FT-0676420 | SB62093 | AKOS006221861 | DTXSID20165807 | BCP04114 | D90555 | A809608 | 2-Ethylpyrrole | W-205780 | EN300-106331 | 2-Ethyl-1H-pyrrole | 2-Ethylpyrrole, analytical standard | 2-Ethylpyrrole, technical grade, 90% | 2-Ethyl-1H-pyrrole # | E0713

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2-Ethylpyrrole is a monosubstituted alkyl pyrrole. Stochastic, Rothemund-type condensation of pyrrole, 2-ethylpyrrole and arylaldehyde yields 3-ethyl-substituted inverted porphyrin, which readily converts to 3-(1′-hydroxyethyl)- and 3-acetyl-inverted porphyrins. 2-Ethylpyrrole is a conjugated five-membered heterocyclic flavor compound and its photooxidation reactivity was investigated.

application：

2-Ethylpyrrole may be used in the preparation of 1-(3-methoxyphenyl)-2-ethylpyrrole.

Specifications

Sinónimos

FT-0676420 | SB62093 | AKOS006221861 | DTXSID20165807 | BCP04114 | D90555 | A809608 | 2-Ethylpyrrole | W-205780 | EN300-106331 | 2-Ethyl-1H-pyrrole | 2-Ethylpyrrole, analytical standard | 2-Ethylpyrrole, technical grade, 90% | 2-Ethyl-1H-pyrrole # | E0713

Especificaciones y pureza

≥96%(GC)

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

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 508808009
• Sonrisas canónicas: CCC1=CC=CN1
• IUPAC Name: 2-ethyl-1H-pyrrole
• InChIKey: XRPDDDRNQJNHLQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9N/c1-2-6-4-3-5-7-6/h3-5,7H,2H2,1H3
• Isómeros SMILES: CCC1=CC=CN1
• WGK Alemania: 3
• Peso molecular: 95.15
• Beilstein: 20(5)5,61
• Reaxy-Rn: 105400
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105400&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• 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,Heat Sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°F): 143.6 °F
• Punto de inflamación (°C): 62°C(lit.)
• Punto de ebullición (°C): 165°C(lit.)
• Peso molecular: 95.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 95.0735 Da
• Monoisotopic Mass: 95.0735 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.100
• 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