Allylpentafluorobenzene - ≥98%(GC) , CAS No.1736-60-3

CAS: 1736-60-3 Cat. No.: A151406 Fórmula: C₉H₅F₅ Peso molecular: 208.13 Número EC: 217-083-6

GRADE & PURITY ≥98%(GC)

Synonyms

J-010929 | 2,3,4,5,6-Pentafluoro(allylbenzene) | BENZENE, PENTAFLUORO-2-PROPENYL- | Allylpentafluorobenzene, 97% | 1-Allyl-2,3,4,5,6-pentafluorobenzene # | DTXSID50169636 | NSC 88279 | 1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene | Benzene, 1,2,3,4,5-pentaf

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-010929 | 2,3,4,5,6-Pentafluoro(allylbenzene) | BENZENE, PENTAFLUORO-2-PROPENYL- | Allylpentafluorobenzene, 97% | 1-Allyl-2,3,4,5,6-pentafluorobenzene # | DTXSID50169636 | NSC 88279 | 1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene | Benzene, 1,2,3,4,5-pentaf

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504754814

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754814

Sonrisas canónicas

C=CCC1=C(C(=C(C(=C1F)F)F)F)F

IUPAC Name

1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene

InChIKey

YBDBTBVNQQBHGJ-UHFFFAOYSA-N

INCHI

1S/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,1,3H2

Isómeros SMILES

C=CCC1=C(C(=C(C(=C1F)F)F)F)F

WGK Alemania

3

Peso molecular

208.13

Reaxy-Rn

1971209

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1971209&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Índice de refracción: 1.427
• Punto de inflamación (°F): 109.4 °F
• Punto de inflamación (°C): 42°C
• Punto de ebullición (°C): 148-149°C
• Peso molecular: 208.130 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.031 Da
• Monoisotopic Mass: 208.031 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 191.000
• 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

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 1736-60-3, the molecular formula is C9H5F5, and the molecular weight is 208.13 g/mol. InChIKey YBDBTBVNQQBHGJ-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.