2-Fluorophenethyl bromide - ≥97% , CAS No.91319-54-9

CAS: 91319-54-9 Cat. No.: F469846 Formule: C₈H₈BrF Poids moléculaire: 203.06 Numéro CE: 627-321-4

QUALITÉ & PURETÉ ≥97%

Synonyms

AKOS000301913 | AMY11042 | SCHEMBL459369 | 2-fluorophenyl ethyl bromide | SY060877 | FS-5427 | EN300-675175 | MFCD04117466 | 2-Fluorophenethyl bromide, 97% | 2-fluorophenyl-ethylbromide | 1-(2-Bromo-ethyl)-2-fluorobenzene | 1-(2-Bromo-ethyl)-2-fluoro-benz

Storage

Room temperature

Spécifications

Synonymes

AKOS000301913 | AMY11042 | SCHEMBL459369 | 2-fluorophenyl ethyl bromide | SY060877 | FS-5427 | EN300-675175 | MFCD04117466 | 2-Fluorophenethyl bromide, 97% | 2-fluorophenyl-ethylbromide | 1-(2-Bromo-ethyl)-2-fluorobenzene | 1-(2-Bromo-ethyl)-2-fluoro-benz

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488193045

Sourires canoniques

C1=CC=C(C(=C1)CCBr)F

IUPAC Name

1-(2-bromoethyl)-2-fluorobenzene

InChIKey

FQGDFWIQBCQXPS-UHFFFAOYSA-N

INCHI

1S/C8H8BrF/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2

Isomères SMILES

C1=CC=C(C(=C1)CCBr)F

Poids moléculaire

203.06

Reaxy-Rn

4859436

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4859436&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 Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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: n20/D 1.5340
• Point d'ébullition (°C): 73-75 °C/20 mmHg (lit.)
• Poids moléculaire: 203.050 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.979 Da
• Monoisotopic Mass: 201.979 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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