2,4-Difluoronitrobenzene - ≥99%(GC) , CAS No.446-35-5

CAS: 446-35-5 Cat. No.: D138851 Peso molecular: 159.09 Beilstein Registry Number: 5(1)129 Número EC: 207-167-0

GRADE & PURITY ≥99%(GC)

Synonyms

AS-13424 | AM20050179 | 1,3-Difluor-4-nitrobenzol | AKOS009031333 | CAS-446-35-5 | NSC 10259 | 2,4-Difluoro-1-nitrobenzene | 2,4-Difluoro-1-nitro-benzene | AC-10690 | FT-0610104 | NCGC00090989-02 | NCGC00090989-03 | 2,4-difluor-1-nitro-benzene | DTXSID003

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Nucleophilic aromatic substitution of 2,4-difluoronitrobenzene with morpholine has been investigated using flow reactor with simulated moving bed (SMB) chromatography module.
2,4-Difluoronitrobenzene has been used in the synthesis of: 2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction; (±)-horsfiline; resin-bound 2-arylaminobenzimidazoles.

Specifications

Sinónimos

AS-13424 | AM20050179 | 1, 3-Difluor-4-nitrobenzol | AKOS009031333 | CAS-446-35-5 | NSC 10259 | 2, 4-Difluoro-1-nitrobenzene | 2, 4-Difluoro-1-nitro-benzene | AC-10690 | FT-0610104 | NCGC00090989-02 | NCGC00090989-03 | 2, 4-difluor-1-nitro-benzene | DTXSID003

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 504754229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754229
• Sonrisas canónicas: C1=CC(=C(C=C1F)F)[N+](=O)[O-]
• IUPAC Name: 2,4-difluoro-1-nitrobenzene
• InChIKey: RJXOVESYJFXCGI-UHFFFAOYSA-N
• INCHI: 1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1F)F)[N+](=O)[O-]
• WGK Alemania: 3
• RTECS: CZ5730000
• Número ONU: 2810
• Grupo de embalaje: III
• Peso molecular: 159.09
• Beilstein: 5(1)129
• Reaxy-Rn: 2048034
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048034&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Objetivos asociados (no humanos)

Salmonella typhimurium (15756 Activities)

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Plasmodium falciparum (966862 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: air sensitive
• Índice de refracción: 1.511
• Punto de inflamación (°F): 194°F
• Punto de inflamación (°C): 90°C
• Punto de ebullición (°C): 203-204 °C
• Punto de fusión (°C): 9-10 °C
• Peso molecular: 159.090 g/mol
• XLogP3: 1.800
• 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: 159.000
• 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