2-Nitrofluorenone - ≥98%(HPLC) , CAS No.3096-52-4

CAS: 3096-52-4 Cat. No.: N159489 Fórmula: C₁₃H₇NO₃ Peso molecular: 225.2 Beilstein Registry Number: 7(3)2344 Número EC: 622-431-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

MFCD00001152 | BRN 2052959 | J-018205 | 2-Nitrofluorenon | CCRIS 2540 | 9-Fluorenone, 2-nitro | DTXSID70184942 | 2-Nitro-9H-fluoren-9-one # | SCHEMBL229511 | 2-Nitro-9-fluorenone | 2-Nitro-9H-fluoren-9-one | NSC 12365 | InChI=1/C13H7NO3/c15-13-11-4-2-1-3-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00001152 | BRN 2052959 | J-018205 | 2-Nitrofluorenon | CCRIS 2540 | 9-Fluorenone, 2-nitro | DTXSID70184942 | 2-Nitro-9H-fluoren-9-one # | SCHEMBL229511 | 2-Nitro-9-fluorenone | 2-Nitro-9H-fluoren-9-one | NSC 12365 | InChI=1/C13H7NO3/c15-13-11-4-2-1-3-

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

Pubchem Sid

504752883

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752883

Sonrisas canónicas

C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

IUPAC Name

2-nitrofluoren-9-one

InChIKey

AJEAHBZZHSLIQP-UHFFFAOYSA-N

INCHI

1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H

Isómeros SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

WGK Alemania

3

RTECS

LL9091000

Peso molecular

225.2

Beilstein

7(3)2344

Reaxy-Rn

2052959

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 222 °C
• Peso molecular: 225.200 g/mol
• XLogP3: 3.500
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3096-52-4, the molecular formula is C13H7NO3, and the molecular weight is 225.2 g/mol. InChIKey AJEAHBZZHSLIQP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.