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

CAS: 2613-23-2 Cat. No.: C120812 Fórmula: C₆H₄ClFO Peso molecular: 146.55 Beilstein Registry Number: 3236443 Número CE: 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

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504754992

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754992

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 228.2 °F
• Ponto de inflamação (°C): 108°(226°F)
• Ponto de ebulição (°C): 103-104°C/11mmHg
• Ponto de fusão (°C): 38-43°C
• Peso molecular: 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

Perguntas frequentes

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.