4-Ethoxy-2,3-difluorophenol - ≥97% , CAS No.126163-56-2

CAS: 126163-56-2 Cat. No.: E124114 Formula: C₈H₈F₂O₂ Molecular Weight: 174.14 EC Number: 678-797-5

GRADE & PURITY ≥97%

Synonyms

A851155 | SCHEMBL423475 | 1-Hydroxy-4-ethoxy-2,3-difluorobenzene | 4-Ethoxy-2,3-difluorophenol, JRD | DS-5734 | PKIYFPSPIFCDDB-UHFFFAOYSA-N | 4-Ethoxy-2,3-difluorophenol | MFCD07368025 | AMY173 | FT-0760570 | C8H8F2O2 | DTXSID40560996 | EN300-7406540 | 2,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A851155 | SCHEMBL423475 | 1-Hydroxy-4-ethoxy-2,3-difluorobenzene | 4-Ethoxy-2,3-difluorophenol, JRD | DS-5734 | PKIYFPSPIFCDDB-UHFFFAOYSA-N | 4-Ethoxy-2,3-difluorophenol | MFCD07368025 | AMY173 | FT-0760570 | C8H8F2O2 | DTXSID40560996 | EN300-7406540 | 2,

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488198674
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198674
• Canonical Smiles: CCOC1=C(C(=C(C=C1)O)F)F
• IUPAC Name: 4-ethoxy-2,3-difluorophenol
• InChIKey: PKIYFPSPIFCDDB-UHFFFAOYSA-N
• INCHI: 1S/C8H8F2O2/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4,11H,2H2,1H3
• Isomeric SMILES: CCOC1=C(C(=C(C=C1)O)F)F
• Molecular Weight: 174.14
• Reaxy-Rn: 15697101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15697101&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers O-fluorophenols M-fluorophenols Fluorobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - 3-halophenol - 2-halophenol - 3-fluorophenol - 2-fluorophenol - Phenol ether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Ether - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-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

Chemical and Physical Properties

• Molecular Weight: 174.140 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.049 Da
• Monoisotopic Mass: 174.049 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• 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