1-(2-Fluorophenyl)ethanol - ≥98% , CAS No.445-26-1

CAS: 445-26-1 Cat. No.: F589149 Summenformel: C₈H₉FO Molekulargewicht: 140.16 EG-Nummer: 207-155-5

GRADE & PURITY ≥98%

Synonyms

EINECS 207-155-5 | Leucovorin calcium [USP] | o-Fluorophenylmethylcarbinol | SCHEMBL14088059 | 2-Fluorophenylmethylcarbinol | A810372 | A826611 | A872522 | AS-31708 | SB34081 | W-106191 | 1-(2-Fluorophenyl)ethan-1-ol, 2-Fluorophenylmethylcarbinol | 1-(2-f

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

EINECS 207-155-5 | Leucovorin calcium [USP] | o-Fluorophenylmethylcarbinol | SCHEMBL14088059 | 2-Fluorophenylmethylcarbinol | A810372 | A826611 | A872522 | AS-31708 | SB34081 | W-106191 | 1-(2-Fluorophenyl)ethan-1-ol, 2-Fluorophenylmethylcarbinol | 1-(2-f

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504756893

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756893

Kanonisches Lächeln

CC(C1=CC=CC=C1F)O

IUPAC Name

1-(2-fluorophenyl)ethanol

InChIKey

SXFYVXSOEBCFLV-UHFFFAOYSA-N

INCHI

1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3

Isomere SMILES

CC(C1=CC=CC=C1F)O

Molekulargewicht

140.16

Reaxy-Rn

2353511

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2353511&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Secondary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Immiscible in water.
• Siedepunkt (°C): 110°/135mm
• Molekulargewicht: 140.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• 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: 105.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1