3-Chloro-4-fluorophenol - ≥98% , CAS No.2613-23-2

CAS: 2613-23-2 Cat. No.: C120812 Formula: C₆H₄ClFO Peso molecolare: 146.55 Beilstein Registry Number: 3236443 Numero EC: 220-042-5

GRADE & PURITY ≥98%

Synonyms

AKOS000119338 | MFCD00002257 | 3-chloro-4-luorophenol | EINECS 220-042-5 | FT-0615395 | Z104477690 | InChI=1/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9 | 3-Chloro-4-fluorophenol | 3-chloro-4-fluoro-phenol | 3-chloro4-fluorophenol | AM61417 | 3-Chloro-4-fluoroph

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

AKOS000119338 | MFCD00002257 | 3-chloro-4-luorophenol | EINECS 220-042-5 | FT-0615395 | Z104477690 | InChI=1/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9 | 3-Chloro-4-fluorophenol | 3-chloro-4-fluoro-phenol | 3-chloro4-fluorophenol | AM61417 | 3-Chloro-4-fluoroph

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504754992
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754992
• Sorrisi canonici: C1=CC(=C(C=C1O)Cl)F
• IUPAC Name: 3-chloro-4-fluorophenol
• InChIKey: ZQXLIXHVJVAPLW-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
• Isomeri SMILES: C1=CC(=C(C=C1O)Cl)F
• WGK Germania: 3
• Peso molecolare: 146.55
• Beilstein: 3236443
• Reaxy-Rn: 3236443
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236443&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: M-chlorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 3-chlorophenol - 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
• Descrizione: This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 228.2 °F
• Punto di infiammabilità (°C): 108°(226°F)
• Punto di ebollizione (°C): 103-104°C/11mmHg
• Punto di fusione (°C): 38-43°C
• Peso molecolare: 146.540 g/mol
• XLogP3: 2.400
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2613-23-2, the molecular formula is C6H4ClFO, and the molecular weight is 146.55 g/mol. InChIKey ZQXLIXHVJVAPLW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.