2,5-Difluorophenol - ≥97% , CAS No.2713-31-7

CAS: 2713-31-7 Cat. No.: D122593 Formula: F₂C₆H₃OH Peso molecolare: 130.09 Beilstein Registry Number: 2081076 Numero EC: 608-045-3

QUALITÀ & PUREZZA ≥97%

Synonyms

1-(2,6-dihydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one | BP-20573 | FT-0610363 | CCG-325853 | MFCD00042501 | AC-3785 | PD180173 | 2,5-Difluorophenol | 2,5-difluoro-pheno

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

1-(2,6-dihydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one | BP-20573 | FT-0610363 | CCG-325853 | MFCD00042501 | AC-3785 | PD180173 | 2,5-Difluorophenol | 2,5-difluoro-pheno

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

508807743

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807743

Sorrisi canonici

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

IUPAC Name

2,5-difluorophenol

InChIKey

INXKVYFOWNAVMU-UHFFFAOYSA-N

INCHI

1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

130.09

Beilstein

2081076

Reaxy-Rn

2081076

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2081076&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 O-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: O-fluorophenols
• Alternative Parents: 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: 2-fluorophenol - 3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as o-fluorophenols. These are fluorophenols carrying a iodine at the C2 position of the 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

Obiettivi associati (umani)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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CA3 Tclin Carbonic anhydrase III (753 Activities)

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CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA5B Tclin Carbonic anhydrase VB (957 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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Obiettivi associati (non umani)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

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Ca13 Carbonic anhydrase XIII (322 Activities)

Discover Target: Ca13

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CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 127.4 °F
• Punto di infiammabilità (°C): 53℃(127°F)
• Punto di ebollizione (°C): 145°C
• Punto di fusione (°C): 42 °C
• Peso molecolare: 130.090 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 130.023 Da
• Monoisotopic Mass: 130.023 Da
• Topological Polar Surface Area: 20.200 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