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

CAS: 1551-06-0 Cat. No.: E156214 Summenformel: C₆H₉N Molekulargewicht: 95.15 Beilstein Registry Number: 20(5)5,61 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥96%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%(GC)

Namen und Kennungen

• Pubchem Sid: 508808009
• Kanonisches Lächeln: 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
• Isomere SMILES: CCC1=CC=CN1
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Brechungsindex: 1.5
• Flammpunkt (°F): 143.6 °F
• Flammpunkt (°C): 62°C(lit.)
• Siedepunkt (°C): 165°C(lit.)
• Molekulargewicht: 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