2,4-Difluorobenzonitrile - ≥98% , CAS No.3939-09-1

CAS: 3939-09-1 Cat. No.: D120893 Formula: C₇H₃F₂N Peso molecolare: 139.1 Beilstein Registry Number: 1940316 Numero EC: 223-523-8

GRADE & PURITY ≥98%

Synonyms

2,4-bis(fluoranyl)benzenecarbonitrile | 2,4-Difluorobenzonitrile | 2,4-difluoro-benzonitrile | MFCD00009826 | SX6J8M5Z5H | Benzonitrile,2,4-difluoro-,radical ion(1-)(9ci) | 2,4-Difluorobenzonitrile, 97% | Phenol, 4-methoxy-, acetate | InChI=1/C7H3F2N/c8-6

Storage

Room temperature

Shipped In

Normal

Panoramica

2,4-Difluorobenzonitrile undergoes polycondensation with Bisphenol A and matrix-assisted laser desorption/time-of-flight mass spectra revealed a quantitative formation of cyclic oligoethers and polyethers.

application：

2,4-Difluorobenzonitrile has been used in the synthesis of:

2-methylsulfonyl-4-fluorobenzylamine

fluoro-3-amino-1,2-benzisoxazoles

Specifications

Sinonimi

2,4-bis(fluoranyl)benzenecarbonitrile | 2,4-Difluorobenzonitrile | 2,4-difluoro-benzonitrile | MFCD00009826 | SX6J8M5Z5H | Benzonitrile,2,4-difluoro-,radical ion(1-)(9ci) | 2,4-Difluorobenzonitrile, 97% | Phenol, 4-methoxy-, acetate | InChI=1/C7H3F2N/c8-6

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185421

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185421

Sorrisi canonici

C1=CC(=C(C=C1F)F)C#N

IUPAC Name

2,4-difluorobenzonitrile

InChIKey

LJFDXXUKKMEQKE-UHFFFAOYSA-N

INCHI

1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

Isomeri SMILES

C1=CC(=C(C=C1F)F)C#N

WGK Germania

3

Peso molecolare

139.1

Beilstein

1940316

Reaxy-Rn

1940316

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940316&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

• Solubilità: Soluble in Methanol
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): >110°C(230°F)
• Punto di ebollizione (°C): 189°C
• Punto di fusione (°C): 43-48°C
• Peso molecolare: 139.100 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 139.023 Da
• Monoisotopic Mass: 139.023 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 160.000
• 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 3939-09-1, the molecular formula is C7H3F2N, and the molecular weight is 139.1 g/mol. InChIKey LJFDXXUKKMEQKE-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.