3-Ethyl-2,4-dimethylpyrrol - ≥97% , CAS No.517-22-6

CAS: 517-22-6 Cat. No.: E123131 Summenformel: C₈H₁₃N Molekulargewicht: 123.2 Beilstein Registry Number: 107089 EG-Nummer: 208-234-7

GRADE & PURITY ≥97%

Synonyms

1H-Pyrrole, 3-ethyl-2,4-dimethyl- | 3-ethy-2,4-dimethyl-1H-Pyrrole | SY051106 | 3-Ethyl-2,4-dimethyl-1H-pyrrole | A7616 | UNII-339V6S6PPS | DTXSID20199647 | SCHEMBL891315 | Kryptopyrrole | FT-0610156 | E0555 | Z1203730732 | 3-Ethyl-2,4-dimethylpyrrole | D

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Specifications

Synonyme

1H-Pyrrole, 3-ethyl-2,4-dimethyl- | 3-ethy-2,4-dimethyl-1H-Pyrrole | SY051106 | 3-Ethyl-2,4-dimethyl-1H-pyrrole | A7616 | UNII-339V6S6PPS | DTXSID20199647 | SCHEMBL891315 | Kryptopyrrole | FT-0610156 | E0555 | Z1203730732 | 3-Ethyl-2,4-dimethylpyrrole | D

Spezifikationen & Reinheit

≥97%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504751975
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751975
• Kanonisches Lächeln: CCC1=C(NC=C1C)C
• IUPAC Name: 3-ethyl-2,4-dimethyl-1H-pyrrole
• InChIKey: ZEBBLOXDLGIMEG-UHFFFAOYSA-N
• INCHI: 1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3
• Isomere SMILES: CCC1=C(NC=C1C)C
• WGK Deutschland: 3
• RTECS: UX9629500
• Molekulargewicht: 123.2
• Beilstein: 107089
• Reaxy-Rn: 107089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107089&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
• Brechungsindex: 1.4950-1.4990
• Flammpunkt (°F): 161.6 °F
• Flammpunkt (°C): 71°C
• Siedepunkt (°C): 197°C/710mmHg
• Molekulargewicht: 123.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 123.105 Da
• Monoisotopic Mass: 123.105 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.600
• 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