4-Chloro-2-fluoroanisole - ≥98% , CAS No.452-09-5

CAS: 452-09-5 Cat. No.: C332053 Formula: C₇H₆ClFO Peso molecolare: 160.57 Numero EC: 625-001-9

QUALITÀ & PUREZZA ≥98%

Synonyms

2-Fluoro-4-chloroanisole;4-Chloro-2-fluoro-1-methoxybenzene | 4-Chloro-2-fluoro-1-methoxybenzene | 4-CHLORO-2-FLUORO-1-METHOXY-BENZENE | 727D82AC8X | 1-Chloro-3-fluoro-4-methoxybenzene | AC-25973 | DTXSID60278849 | 4-Chloro-2-fluoro-1-methoxybenzene # | A

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

2-Fluoro-4-chloroanisole;4-Chloro-2-fluoro-1-methoxybenzene | 4-Chloro-2-fluoro-1-methoxybenzene | 4-CHLORO-2-FLUORO-1-METHOXY-BENZENE | 727D82AC8X | 1-Chloro-3-fluoro-4-methoxybenzene | AC-25973 | DTXSID60278849 | 4-Chloro-2-fluoro-1-methoxybenzene # | A

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488188721

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188721

Sorrisi canonici

COC1=C(C=C(C=C1)Cl)F

IUPAC Name

4-chloro-2-fluoro-1-methoxybenzene

InChIKey

QIUCVZDNIUACJN-UHFFFAOYSA-N

INCHI

1S/C7H6ClFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

Isomeri SMILES

COC1=C(C=C(C=C1)Cl)F

Peso molecolare

160.57

Reaxy-Rn

3240475

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3240475&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Fluorobenzenes Chlorobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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 ebollizione (°C): 160
• Peso molecolare: 160.570 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.009 Da
• Monoisotopic Mass: 160.009 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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