1-Phenylpyrrole - ≥98%(GC) , CAS No.635-90-5

CAS: 635-90-5 Cat. No.: P160301 Summenformel: C₁₀H₉N Molekulargewicht: 143.19 Beilstein Registry Number: 20(3/4)2084 EG-Nummer: 211-242-3 PubChem CID: 12480

GRADE & PURITY ≥98%(GC)

Synonyms

N-Phenylpyrrole | BDBM50028961 | NSC 16581 | P1122 | AI3-11735 | AS-57121 | InChI=1/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9 | A834428 | 1-PHENYL-1H-PYRROLE | 1-Phenylpyrrole, 99% | AKOS000285836 | Q27257818 | EN300-385285 | MFCD00005343 | NSC16581 | NSC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

N-Phenylpyrrole | BDBM50028961 | NSC 16581 | P1122 | AI3-11735 | AS-57121 | InChI=1/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9 | A834428 | 1-PHENYL-1H-PYRROLE | 1-Phenylpyrrole, 99% | AKOS000285836 | Q27257818 | EN300-385285 | MFCD00005343 | NSC16581 | NSC

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C(C=C1)N2C=CC=C2
• IUPAC Name: 1-phenylpyrrole
• InChIKey: GEZGAZKEOUKLBR-UHFFFAOYSA-N
• INCHI: 1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H
• Isomere SMILES: C1=CC=C(C=C1)N2C=CC=C2
• WGK Deutschland: 3
• PubChem CID: 12480
• Molekulargewicht: 143.19
• Beilstein: 20(3/4)2084
• Reaxy-Rn: 109798

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: Phenylpyrroles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrole - Benzenoid - Monocyclic benzene moiety - 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 phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 131°C/30mmHg(lit.)
• Schmelzpunkt (°C): 59 °C
• Molekulargewicht: 143.180 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 143.073 Da
• Monoisotopic Mass: 143.073 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 110.000
• 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