1-Ethyl-3-fluorobenzene - ≥98% , CAS No.696-39-9

CAS: 696-39-9 Cat. No.: E304425 Formule: C₈H₉F Poids moléculaire: 124.15

GRADE & PURITY ≥98%

Synonyms

Benzene, 1-fluoro-3-ethyl | AS-57994 | SCHEMBL127952 | starbld0000489 | 1-ETHYL-3-FLUOROBENZENE | Benzene, 1-ethyl-3-fluoro- | FT-0765748 | AMY36974 | A866795 | 3-ethyl-fluorobenzene | DTXSID20549502 | AKOS016012282 | EN300-214436 | MFCD15527193

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

Benzene, 1-fluoro-3-ethyl | AS-57994 | SCHEMBL127952 | starbld0000489 | 1-ETHYL-3-FLUOROBENZENE | Benzene, 1-ethyl-3-fluoro- | FT-0765748 | AMY36974 | A866795 | 3-ethyl-fluorobenzene | DTXSID20549502 | AKOS016012282 | EN300-214436 | MFCD15527193

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCC1=CC(=CC=C1)F
• IUPAC Name: 1-ethyl-3-fluorobenzene
• InChIKey: ZEWGMOQWTWMZMZ-UHFFFAOYSA-N
• INCHI: 1S/C8H9F/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
• Isomères SMILES: CCC1=CC(=CC=C1)F
• Poids moléculaire: 124.15
• Reaxy-Rn: 2499505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2499505&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

• Sensibilité: light sensitive
• Poids moléculaire: 124.150 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.069 Da
• Monoisotopic Mass: 124.069 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• 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