1-Ethyl-3,5-difluorobenzene - ≥98%(GC) , CAS No.117358-52-8

CAS: 117358-52-8 Cat. No.: E156301 Formule: C₈H₈F₂ Poids moléculaire: 142.15 Numéro CE: 694-579-2

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

A803757 | FT-0654210 | MFCD10000628 | AS-33138 | 3,5-Difluoroethylbenzene | SCHEMBL148110 | 3,5-Difluoroethylbenzene, 97% | Benzene, 1-ethyl-3,5-difluoro- | EN300-329601 | AKOS006305462 | DTXSID80605855 | 1-ethyl-3,5-bis(fluoranyl)benzene | 1-Ethyl-3,5-di

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

A803757 | FT-0654210 | MFCD10000628 | AS-33138 | 3,5-Difluoroethylbenzene | SCHEMBL148110 | 3,5-Difluoroethylbenzene, 97% | Benzene, 1-ethyl-3,5-difluoro- | EN300-329601 | AKOS006305462 | DTXSID80605855 | 1-ethyl-3,5-bis(fluoranyl)benzene | 1-Ethyl-3,5-di

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488199788

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199788

Sourires canoniques

CCC1=CC(=CC(=C1)F)F

IUPAC Name

1-ethyl-3,5-difluorobenzene

InChIKey

PFINYKRPUJCMCT-UHFFFAOYSA-N

INCHI

1S/C8H8F2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3

Isomères SMILES

CCC1=CC(=CC(=C1)F)F

WGK Allemagne

3

Numéro ONU

1993

Groupe d'emballage

III

Poids moléculaire

142.15

Reaxy-Rn

5921249

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5921249&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.45
• Point d'éclair (°F): 87.8 °F
• Point d'éclair (°C): 31°C(lit.)
• Poids moléculaire: 142.150 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.059 Da
• Monoisotopic Mass: 142.059 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.400
• 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