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 CE: 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

Visão geral

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

Especificações e pureza

≥96%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%(GC)

Nomes e identificadores

• Pubchem Sid: 508808009
• Sorrisos canónicos: 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
• SMILES isoméricas: CCC1=CC=CN1
• WGK Alemanha: 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
    • Classe Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive,Heat Sensitive
• Índice de refração: 1.5
• Ponto de inflamação (°F): 143.6 °F
• Ponto de inflamação (°C): 62°C(lit.)
• Ponto de ebulição (°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