4-AZA-9-FLUORENONE - ≥97% , CAS No.3882-46-0

CAS: 3882-46-0 Cat. No.: A170073 Formula: C₁₂H₇NO Peso molecolare: 181.19 Numero EC: 223-414-5

GRADE & PURITY ≥97%

Synonyms

5H-Indeno(1,2-b)pyridin-5-one | HMS659A16 | QU4UN93QQX | 4-azafluorenone | AKOS000281687 | HMS561M15 | SR-01000517543 | EU-0051655 | indeno[1,2-b]pyridin-5-one | Phenylsulfinylamine | 4-azafluoren-9-one | A924537 | FT-0692413 | AC-17974 | NSC 158496 | NSC

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

5H-Indeno(1,2-b)pyridin-5-one | HMS659A16 | QU4UN93QQX | 4-azafluorenone | AKOS000281687 | HMS561M15 | SR-01000517543 | EU-0051655 | indeno[1,2-b]pyridin-5-one | Phenylsulfinylamine | 4-azafluoren-9-one | A924537 | FT-0692413 | AC-17974 | NSC 158496 | NSC

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

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

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528760287

Sorrisi canonici

C1=CC=C2C(=C1)C3=C(C2=O)C=CC=N3

IUPAC Name

indeno[1,2-b]pyridin-5-one

InChIKey

LAHFQGLEIGIEMT-UHFFFAOYSA-N

INCHI

1S/C12H7NO/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11/h1-7H

Isomeri SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C=CC=N3

Peso molecolare

181.19

Reaxy-Rn

126445

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126445&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Aryl ketones
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl ketone - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Peso molecolare: 181.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.053 Da
• Monoisotopic Mass: 181.053 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 251.000
• 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