3-Fluorocatechol - ≥98% , CAS No.363-52-0

CAS: 363-52-0 Cat. No.: F122610 Summenformel: FC₆H₃-1,2-(OH)₂ Molekulargewicht: 128.10 Beilstein Registry Number: 2436074 EG-Nummer: 609-233-8

QUALITÄT & REINHEIT ≥98%

Synonyms

1-Fluoro-2,3-dihydroxybenzene | SY028999 | EN300-96038 | 3FA | 1,2-Benzenediol, 3-fluoro- | FT-0615672 | 3-fluoro-benzene-1,2-diol | 3-Fluorobenzene-1,2-diol | 2,3-Dihydroxyfluorobenzene | CL8492 | Q27120383 | 3-Fluoro-1,2-dihydroxybenzene | 3-Fluorocatec

Storage

Argon charged,Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

1-Fluoro-2,3-dihydroxybenzene | SY028999 | EN300-96038 | 3FA | 1,2-Benzenediol, 3-fluoro- | FT-0615672 | 3-fluoro-benzene-1,2-diol | 3-Fluorobenzene-1,2-diol | 2,3-Dihydroxyfluorobenzene | CL8492 | Q27120383 | 3-Fluoro-1,2-dihydroxybenzene | 3-Fluorocatec

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508808853

Kanonisches Lächeln

C1=CC(=C(C(=C1)F)O)O

IUPAC Name

3-fluorobenzene-1,2-diol

InChIKey

DXOSJQLIRGXWCF-UHFFFAOYSA-N

INCHI

1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H

Isomere SMILES

C1=CC(=C(C(=C1)F)O)O

WGK Deutschland

3

Molekulargewicht

128.10

Beilstein

2436074

Reaxy-Rn

2436074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2436074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: O-fluorophenols M-fluorophenols Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - 3-halophenol - 2-halophenol - 3-fluorophenol - 2-fluorophenol - Halobenzene - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• External Descriptors: a fluoroaromatic compound - a catechol

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light and Air Sensitive
• Schmelzpunkt (°C): 71-73°C
• Molekulargewicht: 128.100 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.027 Da
• Monoisotopic Mass: 128.027 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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