4-Fluorocatechol - ≥98% , CAS No.367-32-8

CAS: 367-32-8 Cat. No.: F156741 Summenformel: C₆H₅FO₂ Molekulargewicht: 128.10 Beilstein Registry Number: 6(4)5613 EG-Nummer: 677-404-4

GRADE & PURITY ≥98%

Synonyms

SY024937 | 4-Fluoro-1,2-dihydroxybenzene | CHEBI:80515 | DTXSID90190146 | AM61936 | MFCD01317539 | 3,4-Dihydroxyfluorobenzene | AKOS006230203 | 4-fluoranylbenzene-1,2-diol | 4-Fluoropyrocatechol | PD193096 | EN300-160010 | 3N8 | 4whq | A19881 | A825546 |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

SY024937 | 4-Fluoro-1,2-dihydroxybenzene | CHEBI:80515 | DTXSID90190146 | AM61936 | MFCD01317539 | 3,4-Dihydroxyfluorobenzene | AKOS006230203 | 4-fluoranylbenzene-1,2-diol | 4-Fluoropyrocatechol | PD193096 | EN300-160010 | 3N8 | 4whq | A19881 | A825546 |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809417

Kanonisches Lächeln

C1=CC(=C(C=C1F)O)O

IUPAC Name

4-fluorobenzene-1,2-diol

InChIKey

NFWGQJUHSAGJBE-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC(=C(C=C1F)O)O

Molekulargewicht

128.10

Beilstein

6(4)5613

Reaxy-Rn

2500790

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2500790&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: P-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 - 4-halophenol - 3-halophenol - 3-fluorophenol - 4-fluorophenol - Halobenzene - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organooxygen compound - Organofluoride - Organohalogen 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: catechols

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: Soluble in Tetrahydrofuran,Methanol
• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 91 °C
• Molekulargewicht: 128.100 g/mol
• XLogP3: 1.900
• 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