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

CAS: 605644-46-0 Cat. No.: D155731 Summenformel: C₁₅H₁₃NO₂ Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488201402

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 103 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.