2-Propionylpyrrole - Reagent Grade , CAS No.1073-26-3

CAS: 1073-26-3 Cat. No.: P478583 Formule: C₇H₉NO Poids moléculaire: 123.15 Numéro CE: 214-026-7 PubChem CID: 61260

GRADE & PURITY Reagent Grade

Synonyms

4-21-00-03456 (Beilstein Handbook Reference) | SB62719 | NSC81353 | NSC-81353 | BS-22951 | DTXSID30147997 | FEMA No. 3614 | NSC 81353 | BRN 0108936 | 1-Propanone, 1-(1H-pyrrol-2-yl)- | 1-(1H-pyrrol-2-yl)-propan-1-one | 1-(1H-Pyrrol-2-yl)propan-1-one | 1-P

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

4-21-00-03456 (Beilstein Handbook Reference) | SB62719 | NSC81353 | NSC-81353 | BS-22951 | DTXSID30147997 | FEMA No. 3614 | NSC 81353 | BRN 0108936 | 1-Propanone, 1-(1H-pyrrol-2-yl)- | 1-(1H-pyrrol-2-yl)-propan-1-one | 1-(1H-Pyrrol-2-yl)propan-1-one | 1-P

Spécifications et pureté

Reagent Grade

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Grade

Reagent Grade

Noms et identifiants

Pubchem Sid

528756231

Sourires canoniques

CCC(=O)C1=CC=CN1

IUPAC Name

1-(1H-pyrrol-2-yl)propan-1-one

InChIKey

AEJPPSRYXGEVDT-UHFFFAOYSA-N

INCHI

1S/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3

Isomères SMILES

CCC(=O)C1=CC=CN1

PubChem CID

61260

Poids moléculaire

123.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• 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: Moisture sensitive
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Poids moléculaire: 123.150 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 111.000
• 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