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

CAS: 517-22-6 Cat. No.: E123131 Formule: C₈H₁₃N Poids moléculaire: 123.2 Beilstein Registry Number: 107089 Numéro CE: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504751975
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751975
• Sourires canoniques: 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
• Isomères SMILES: CCC1=C(NC=C1C)C
• WGK Allemagne: 3
• RTECS: UX9629500
• Poids moléculaire: 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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Indice de réfraction: 1.4950-1.4990
• Point d'éclair (°F): 161.6 °F
• Point d'éclair (°C): 71°C
• Point d'ébullition (°C): 197°C/710mmHg
• Poids moléculaire: 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