2,5-Difluoronitrobenzene - ≥98%(GC) , CAS No.364-74-9

CAS: 364-74-9 Cat. No.: D136581 Formula: C₆H₃F₂NO₂ Peso molecolare: 159.09 Beilstein Registry Number: 5(4)720 Numero EC: 206-663-4

GRADE & PURITY ≥98%(GC)

Synonyms

InChI=1/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H | SCHEMBL102780 | NSC528657 | NSC-528657 | NSC 528657 | 2,5-Difluoronitrobenzene, 97% | 2,5-difluoro-1-nitrobenzene | 2,5 difluoronitrobenzene | 2,5 -difluoronitrobenzene | DTXSID60189921 | 2,5-Difluoroni

Storage

Room temperature

Shipped In

Normal

Panoramica

2,5-Difluoronitrobenzene was used in the synthesis of :

• N-alkylated 2-arylaminobenzimidazoles

• quinoxalinones

• N-(2-nitro-4-fluorophenyl)-l,2,3,4-tetrahydroisoquinoline

Specifications

Sinonimi

InChI=1/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H | SCHEMBL102780 | NSC528657 | NSC-528657 | NSC 528657 | 2,5-Difluoronitrobenzene, 97% | 2,5-difluoro-1-nitrobenzene | 2,5 difluoronitrobenzene | 2,5 -difluoronitrobenzene | DTXSID60189921 | 2,5-Difluoroni

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488184004

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184004

Sorrisi canonici

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

IUPAC Name

1,4-difluoro-2-nitrobenzene

InChIKey

XNJAYQHWXYJBBD-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

WGK Germania

3

RTECS

CZ5715000

Peso molecolare

159.09

Beilstein

5(4)720

Reaxy-Rn

2210200

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210200&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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.51
• Punto di infiammabilità (°F): 194 °F
• Punto di infiammabilità (°C): 90°C(lit.)
• Punto di ebollizione (°C): 104 °C/25 mmHg
• Peso molecolare: 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 364-74-9, the molecular formula is C6H3F2NO2, and the molecular weight is 159.09 g/mol. InChIKey XNJAYQHWXYJBBD-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.