2-(2-Fluorophenyl)ethanol - ≥95%(GC) , CAS No.50919-06-7

CAS: 50919-06-7 Cat. No.: F134481 Formule: C₈H₉FO Poids moléculaire: 140.16 Numéro CE: 670-569-3

GRADE & PURITY ≥95%(GC)

Synonyms

2-(2-Fluorophenyl)ethyl Alcohol | 2-(2-fluorophenyl)ethan-1-ol | A24130 | o-Fluorophenethyl alcohol | DTXSID50369831 | SCHEMBL625220 | BBL101061 | SY021828 | MFCD00002887 | TS-01829 | STL554855 | F0778 | Z397587382 | Benzeneethanol, 2-fluoro- | 2-(2-fluor

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-(2-Fluorophenyl)ethyl Alcohol | 2-(2-fluorophenyl)ethan-1-ol | A24130 | o-Fluorophenethyl alcohol | DTXSID50369831 | SCHEMBL625220 | BBL101061 | SY021828 | MFCD00002887 | TS-01829 | STL554855 | F0778 | Z397587382 | Benzeneethanol, 2-fluoro- | 2-(2-fluor

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

488192380

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192380

Sourires canoniques

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

IUPAC Name

2-(2-fluorophenyl)ethanol

InChIKey

HNIGZVZDWCTFPR-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

140.16

Reaxy-Rn

4307017

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4307017&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
• 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: 1.51
• Point d'éclair (°F): 208.4 °F
• Point d'éclair (°C): 98°C(lit.)
• Point d'ébullition (°C): 137 °C
• Poids moléculaire: 140.150 g/mol
• XLogP3: 1.600
• 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