2-Chloro-4-fluorophenol - ≥99% , CAS No.1996-41-4

CAS: 1996-41-4 Cat. No.: C124476 Formula: ClC₆H₃(F)OH Peso molecolare: 146.55 Beilstein Registry Number: 1861277 Numero EC: 217-876-7

GRADE & PURITY ≥99%

Synonyms

A19902 | AKOS000119579 | DTXSID60173744 | J-012898 | EINECS 217-876-7 | Z104495502 | W-107658 | SCHEMBL104856 | C1598 | 1-Bromo-2,3,5-trifluorobezene | PS-8942 | 2-chlor-4-fluorophenol | MFCD00002168 | FT-0611771 | AC-5937 | EN300-21349 | InChI=1/C6H4ClFO

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

A19902 | AKOS000119579 | DTXSID60173744 | J-012898 | EINECS 217-876-7 | Z104495502 | W-107658 | SCHEMBL104856 | C1598 | 1-Bromo-2,3,5-trifluorobezene | PS-8942 | 2-chlor-4-fluorophenol | MFCD00002168 | FT-0611771 | AC-5937 | EN300-21349 | InChI=1/C6H4ClFO

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488184984
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184984
• Sorrisi canonici: C1=CC(=C(C=C1F)Cl)O
• IUPAC Name: 2-chloro-4-fluorophenol
• InChIKey: IGYXYGDEYHNFFT-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
• Isomeri SMILES: C1=CC(=C(C=C1F)Cl)O
• WGK Germania: 3
• Peso molecolare: 146.55
• Beilstein: 1861277
• Reaxy-Rn: 1861277
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861277&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: O-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 - 2-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

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.53
• Punto di infiammabilità (°F): 167 °F
• Punto di infiammabilità (°C): 75°C
• Punto di ebollizione (°C): 172°C
• Punto di fusione (°C): 20-23°C
• Peso molecolare: 146.540 g/mol
• XLogP3: 2.500
• 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