3,5-Difluoro-4-nitrobenzonitrile - ≥98% , CAS No.1123172-88-2

CAS: 1123172-88-2 Cat. No.: D189727 Fórmula: C₇H₂F₂N₂O₂ Peso molecular: 184.1

GRADE & PURITY ≥98%

Synonyms

DTXSID50724426 | MFCD13193247 | 3,5-Difluoro-4-nitrobenzonitrile | 3,5-difluoro-4-nitro-benzonitrile | FT-0687057 | NZIZYTSUHGNYMD-UHFFFAOYSA-N | SY034698 | AKOS016004943 | AC-28593 | 1123172-88-2 | DS-3385 | SCHEMBL309612 | A856925

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID50724426 | MFCD13193247 | 3,5-Difluoro-4-nitrobenzonitrile | 3,5-difluoro-4-nitro-benzonitrile | FT-0687057 | NZIZYTSUHGNYMD-UHFFFAOYSA-N | SY034698 | AKOS016004943 | AC-28593 | 1123172-88-2 | DS-3385 | SCHEMBL309612 | A856925

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504771579
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771579
• Sonrisas canónicas: C1=C(C=C(C(=C1F)[N+](=O)[O-])F)C#N
• IUPAC Name: 3,5-difluoro-4-nitrobenzonitrile
• InChIKey: NZIZYTSUHGNYMD-UHFFFAOYSA-N
• INCHI: 1S/C7H2F2N2O2/c8-5-1-4(3-10)2-6(9)7(5)11(12)13/h1-2H
• Isómeros SMILES: C1=C(C=C(C(=C1F)[N+](=O)[O-])F)C#N
• Peso molecular: 184.1
• Reaxy-Rn: 18940071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18940071&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 Benzonitriles Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Cyanide - Organofluoride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 184.100 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 184.008 Da
• Monoisotopic Mass: 184.008 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 245.000
• 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

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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

The CAS Number is 1123172-88-2, the molecular formula is C7H2F2N2O2, and the molecular weight is 184.1 g/mol. InChIKey NZIZYTSUHGNYMD-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.