9,9-Dimethyl-2-nitrofluorene - ≥98% , CAS No.605644-46-0

CAS: 605644-46-0 Cat. No.: D155731 Fórmula: C₁₅H₁₃NO₂ Peso molecular: 239.27

GRADE & PURITY ≥98%

Synonyms

F14933 | 9H-Fluorene, 9,9-dimethyl-2-nitro- | AC-28775 | D4609 | AM20040826 | SY109024 | FT-0686544 | 2-nitro- 9,9-dimethylfluorene | SCHEMBL10049236 | 9,9-Dimethyl-2-nitro-9Hfluorene | 9,9-DIMETHYL-2-NITRO-9H-FLUORENE | 9,9-Dimethyl-2-nitrofluorene | MFC

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

F14933 | 9H-Fluorene, 9,9-dimethyl-2-nitro- | AC-28775 | D4609 | AM20040826 | SY109024 | FT-0686544 | 2-nitro- 9,9-dimethylfluorene | SCHEMBL10049236 | 9,9-Dimethyl-2-nitro-9Hfluorene | 9,9-DIMETHYL-2-NITRO-9H-FLUORENE | 9,9-Dimethyl-2-nitrofluorene | MFC

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488201402

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201402

Sonrisas canónicas

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-])C

IUPAC Name

9,9-dimethyl-2-nitrofluorene

InChIKey

SPNVINZCDHRVAI-UHFFFAOYSA-N

INCHI

1S/C15H13NO2/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15/h3-9H,1-2H3

Isómeros SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-])C

Peso molecular

239.27

Reaxy-Rn

3316852

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3316852&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 Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Nitroaromatic compound - 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 - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic cation - 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): 103 °C
• Peso molecular: 239.270 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 239.095 Da
• Monoisotopic Mass: 239.095 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 347.000
• 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?

This product is supplied at ≥98% purity (chemical assay). 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 605644-46-0, the molecular formula is C15H13NO2, and the molecular weight is 239.27 g/mol. InChIKey SPNVINZCDHRVAI-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.