2-(3-Fluorophenyl)ethanol - ≥98%(GC) , CAS No.52059-53-7

CAS: 52059-53-7 Cat. No.: F156602 Fórmula: C₈H₉FO Peso molecular: 140.16 Número CE: 691-498-4

GRADE & PURITY ≥98%(GC)

Synonyms

3-Fluorophenethyl alcohol, 98% | 3-Fluorophenylethanol | Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1- | BBL103522 | DTXSID80341448 | EN300-92168 | J-505789 | SCHEMBL37877 | 2-(3-fluorophenyl)ethan-1-ol | 2-(3-Fluorophenyl)ethanol |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Fluorophenethyl alcohol, 98% | 3-Fluorophenylethanol | Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1- | BBL103522 | DTXSID80341448 | EN300-92168 | J-505789 | SCHEMBL37877 | 2-(3-fluorophenyl)ethan-1-ol | 2-(3-Fluorophenyl)ethanol |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

508807871

Sorrisos canónicos

C1=CC(=CC(=C1)F)CCO

IUPAC Name

2-(3-fluorophenyl)ethanol

InChIKey

MZNBGEKFZCWVES-UHFFFAOYSA-N

INCHI

1S/C8H9FO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

SMILES isoméricas

C1=CC(=CC(=C1)F)CCO

WGK Alemanha

3

Peso molecular

140.16

Reaxy-Rn

1932633

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1932633&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 Primary alcohols Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - 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: 1.51
• Ponto de inflamação (°F): 224.6 °F
• Ponto de inflamação (°C): 107 °C
• Ponto de ebulição (°C): 90 °C/2.6 mmHg
• Peso molecular: 140.150 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.064 Da
• Monoisotopic Mass: 140.064 Da
• Topological Polar Surface Area: 20.200 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