3-Nitrofluorenone - ≥98% , CAS No.42135-22-8

CAS: 42135-22-8 Cat. No.: N351923 Fórmula: C₁₃H₇NO₃ Peso molecular: 225.2

GRADE & PURITY ≥98%

Synonyms

3-Nitro-9H-fluoren-9-one | BRN 2583993 | AKOS015906679 | FT-0672788 | 3-Nitro-fluoren-9-one | 3-Nitrofluoren-9-one | 3-Nitrofluorenone | GLVSVKSIYXDZHY-UHFFFAOYSA-N | 9H-Fluoren-9-one, 3-nitro- | 3-Nitro-9H-fluoren-9-one # | CCRIS 2910 | WLN: L B656 HVJ E

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

3-Nitro-9H-fluoren-9-one | BRN 2583993 | AKOS015906679 | FT-0672788 | 3-Nitro-fluoren-9-one | 3-Nitrofluoren-9-one | 3-Nitrofluorenone | GLVSVKSIYXDZHY-UHFFFAOYSA-N | 9H-Fluoren-9-one, 3-nitro- | 3-Nitro-9H-fluoren-9-one # | CCRIS 2910 | WLN: L B656 HVJ E

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504753581
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753581
• Sorrisos canónicos: C1=CC=C2C(=C1)C3=C(C2=O)C=CC(=C3)[N+](=O)[O-]
• IUPAC Name: 3-nitrofluoren-9-one
• InChIKey: GLVSVKSIYXDZHY-UHFFFAOYSA-N
• INCHI: 1S/C13H7NO3/c15-13-10-4-2-1-3-9(10)12-7-8(14(16)17)5-6-11(12)13/h1-7H
• SMILES isoméricas: C1=CC=C2C(=C1)C3=C(C2=O)C=CC(=C3)[N+](=O)[O-]
• Peso molecular: 225.2
• Reaxy-Rn: 2583993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2583993&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Nitroaromatic compounds Aryl ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Nitroaromatic compound - Aryl ketone - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 225.200 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 225.043 Da
• Monoisotopic Mass: 225.043 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 349.000
• 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