3,5-Difluoronitrobenzene - ≥98% , CAS No.2265-94-3

CAS: 2265-94-3 Cat. No.: D122679 Formula: F₂C₆H₃NO₂ Peso molecolare: 159.09 Beilstein Registry Number: 5(4)720 Numero EC: 218-867-0

GRADE & PURITY ≥98%

Synonyms

CL 69049 | Neomenthone | A4841 | BP-13437 | AC-2665 | NSC10260 | NSC-10260 | 1-nitro-3,5-difluorobenzene | SCHEMBL1172437 | 1,3-Difluoro-5-nitrobenzene # | AUQBBDWDLJSKMI-UHFFFAOYSA- | FT-0634172 | Z600389896 | 3,5-Difluornitrobenzene | AS-33088 | D3426 |

Storage

Room temperature

Shipped In

Normal

Panoramica

Molecular structure of 3,5-difluoronitrobenzene was studied by gas-phase electron diffraction, MP2 ab initio and by B3LYP density functional calculations.

Specifications

Sinonimi

CL 69049 | Neomenthone | A4841 | BP-13437 | AC-2665 | NSC10260 | NSC-10260 | 1-nitro-3,5-difluorobenzene | SCHEMBL1172437 | 1,3-Difluoro-5-nitrobenzene # | AUQBBDWDLJSKMI-UHFFFAOYSA- | FT-0634172 | Z600389896 | 3,5-Difluornitrobenzene | AS-33088 | D3426 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185070

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185070

Sorrisi canonici

C1=C(C=C(C=C1F)F)[N+](=O)[O-]

IUPAC Name

1,3-difluoro-5-nitrobenzene

InChIKey

AUQBBDWDLJSKMI-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=C(C=C(C=C1F)F)[N+](=O)[O-]

WGK Germania

3

RTECS

CZ5712000

Peso molecolare

159.09

Beilstein

5(4)720

Reaxy-Rn

2089354

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089354&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.499
• Punto di infiammabilità (°F): 165.2 °F
• Punto di infiammabilità (°C): 73°C(Lit.)
• Punto di ebollizione (°C): 177°C
• Punto di fusione (°C): 17°C
• Peso molecolare: 159.090 g/mol
• XLogP3: 2.100
• 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

Domande frequenti

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 2265-94-3, the molecular formula is C6H3F2NO2, and the molecular weight is 159.09 g/mol. InChIKey AUQBBDWDLJSKMI-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.