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

CAS: 1073-26-3 Cat. No.: P478583 Formula: C₇H₉NO Peso molecolare: 123.15 Numero EC: 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

Sinonimi

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

Specifiche e purezza

Reagent Grade

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Reagent Grade

Nomi e identificatori

• Pubchem Sid: 528756231
• Sorrisi canonici: 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
• Isomeri SMILES: CCC(=O)C1=CC=CN1
• PubChem CID: 61260
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 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