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

CAS: 91319-54-9 Cat. No.: F469846 Fórmula: C₈H₈BrF Peso molecular: 203.06 Número CE: 627-321-4

GRAU & PUREZA ≥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

Especificações

Sinónimos

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488193045

Sorrisos canónicos

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

SMILES isoméricas

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

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.5340
• Ponto de ebulição (°C): 73-75 °C/20 mmHg (lit.)
• Peso molecular: 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