4-Chlor-3-fluorphenol - ≥98% , CAS No.348-60-7

CAS: 348-60-7 Cat. No.: C122588 Summenformel: ClC₆(H₃(F)OH Molekulargewicht: 146.55 Beilstein Registry Number: 3236440 EG-Nummer: 609-036-7

GRADE & PURITY ≥98%

Synonyms

FT-0618067 | 4-Chloro-3-fluorophenol, 98% | SY021811 | 3-Fluoro-4-chlorophenol | 3-fluoro-4-chloro-phenol | C2476 | SCHEMBL150261 | J-019785 | 3-fluoro-4-chloro phenol | MFCD00042583 | DTXSID40369148 | AKOS005258409 | PS-8944 | AM20060198 | J-515002 | XLH

Storage

Room temperature

Shipped In

Normal

Übersicht

4-Chlor-3-fluorphenol wird an beiden ortho-Positionen hydroxyliert, wobei verschiedene Produkte entstehen.

4-Chlor-3-fluorphenol wurde für die Synthese von 4-Chlor-3-fluorkatechin verwendet.

Specifications

Synonyme

FT-0618067 | 4-Chloro-3-fluorophenol, 98% | SY021811 | 3-Fluoro-4-chlorophenol | 3-fluoro-4-chloro-phenol | C2476 | SCHEMBL150261 | J-019785 | 3-fluoro-4-chloro phenol | MFCD00042583 | DTXSID40369148 | AKOS005258409 | PS-8944 | AM20060198 | J-515002 | XLH

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504760894

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760894

Kanonisches Lächeln

C1=CC(=C(C=C1O)F)Cl

IUPAC Name

4-chloro-3-fluorophenol

InChIKey

XLHYAEBESNFTCA-UHFFFAOYSA-N

INCHI

1S/C6H4ClFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

Isomere SMILES

C1=CC(=C(C=C1O)F)Cl

WGK Deutschland

3

Molekulargewicht

146.55

Beilstein

3236440

Reaxy-Rn

3236440

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236440&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Chlorophenols
          • Ebene6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: P-chlorophenols
• Alternative Parents: M-fluorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 3-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): >110℃(230°F)
• Siedepunkt (°C): 84°C/4.4mmHg
• Schmelzpunkt (°C): 54 °C
• Molekulargewicht: 146.540 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.993 Da
• Monoisotopic Mass: 145.993 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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