2,6-Difluoronitrobenzene - ≥98% , CAS No.19064-24-5

CAS: 19064-24-5 Cat. No.: D122676 Summenformel: F₂C₆H₃NO₂ Molekulargewicht: 159.09 EG-Nummer: 242-793-8

GRADE & PURITY ≥98%

Synonyms

Benzene, 1,3-difluoro-2-nitro- | DTXSID00172559 | 2,6-difluoro nitrobenzene | MFCD00192035 | 1,3-Difluoro-2-nitrobenzene | 1,3-Difluoro-2-nitro-benzene | SY016068 | AKOS005064054 | MLS000067958 | 2,6-Difluoronitrobenzene, 98% | EINECS 242-793-8 | 2,6-Difl

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Product Describtion:
2,6-Difluoronitrobenzene is an organic building block. Molecular structure, conformation and potential to internal rotation of 2,6-difluoronitrobenzene been studied by gas-phase electron diffraction (GED), MP2 ab initio, and by B3LYP density functional calculations.

Product Application：
2,6-Difluoronitrobenzene may be used in the preparation of secondary amine precursors, required for the synthesis of two families of nitric oxide donors.

Specifications

Synonyme

Benzene, 1,3-difluoro-2-nitro- | DTXSID00172559 | 2,6-difluoro nitrobenzene | MFCD00192035 | 1,3-Difluoro-2-nitrobenzene | 1,3-Difluoro-2-nitro-benzene | SY016068 | AKOS005064054 | MLS000067958 | 2,6-Difluoronitrobenzene, 98% | EINECS 242-793-8 | 2,6-Difl

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186457

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186457

Kanonisches Lächeln

C1=CC(=C(C(=C1)F)[N+](=O)[O-])F

IUPAC Name

1,3-difluoro-2-nitrobenzene

InChIKey

SSNCMIDZGFCTST-UHFFFAOYSA-N

INCHI

1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H

Isomere SMILES

C1=CC(=C(C(=C1)F)[N+](=O)[O-])F

WGK Deutschland

3

Molekulargewicht

159.09

Reaxy-Rn

1952618

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1952618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.494
• Flammpunkt (°F): 190.4 °F
• Flammpunkt (°C): 88°C(190°F)
• Siedepunkt (°C): 92°C/11mmHg
• Schmelzpunkt (°C): 22 °C
• Molekulargewicht: 159.090 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 159.013 Da
• Monoisotopic Mass: 159.013 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 19064-24-5, the molecular formula is C6H3F2NO2, and the molecular weight is 159.09 g/mol. InChIKey SSNCMIDZGFCTST-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.