2,5-Difluorobenzyl Cyanide - ≥98%(GC) , CAS No.69584-87-8

CAS: 69584-87-8 Cat. No.: D135266 Summenformel: C₈H₅F₂N Molekulargewicht: 153.13 EG-Nummer: 274-051-4

GRADE & PURITY ≥98%(GC)

Synonyms

2-(2,5-difluorophenyl)acetonitrile | EINECS 274-051-4 | MFCD00009972 | DTXSID40219851 | (2,5-Difluorophenyl)acetonitrile | (2,5-difluoro-phenyl)-acetonitrile | D3442 | AMY2950 | 2-[2,5-bis(fluoranyl)phenyl]ethanenitrile | 2,5-Difluorophenylacetonitrile |

Storage

Room temperature

Shipped In

Normal

Übersicht

2,5-Difluorophenylacetonitrile may be used in chemical synthesis.

Specifications

Synonyme

2-(2,5-difluorophenyl)acetonitrile | EINECS 274-051-4 | MFCD00009972 | DTXSID40219851 | (2,5-Difluorophenyl)acetonitrile | (2,5-difluoro-phenyl)-acetonitrile | D3442 | AMY2950 | 2-[2,5-bis(fluoranyl)phenyl]ethanenitrile | 2,5-Difluorophenylacetonitrile |

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488190537
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190537
• Kanonisches Lächeln: C1=CC(=C(C=C1F)CC#N)F
• IUPAC Name: 2-(2,5-difluorophenyl)acetonitrile
• InChIKey: UIMMFRUOZOWROM-UHFFFAOYSA-N
• INCHI: 1S/C8H5F2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2
• Isomere SMILES: C1=CC(=C(C=C1F)CC#N)F
• WGK Deutschland: 3
• Molekulargewicht: 153.13
• Reaxy-Rn: 2576318
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2576318&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl cyanides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl cyanides
• Alternative Parents: Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl-cyanide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.48
• Flammpunkt (°F): 217.4 °F
• Flammpunkt (°C): 103°C(lit.)
• Siedepunkt (°C): 90 °C/5 mmHg
• Molekulargewicht: 153.130 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.039 Da
• Monoisotopic Mass: 153.039 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 172.000
• 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

Häufig gestellte Fragen

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 69584-87-8, the molecular formula is C8H5F2N, and the molecular weight is 153.13 g/mol. InChIKey UIMMFRUOZOWROM-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.