3-Ethoxy-2,6-difluorophenol , CAS No.1092461-31-8

CAS: 1092461-31-8 Cat. No.: E1320788 Summenformel: C₈H₈F₂O₂ Molekulargewicht: 174.15 EG-Nummer: 690-421-1 PubChem CID: 55275768

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Verschickt in

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Namen und Kennungen

• Kanonisches Lächeln: CCOC1=C(C(=C(C=C1)F)O)F
• IUPAC Name: 3-ethoxy-2,6-difluorophenol
• InChIKey: MGBIYPQQWRPKLL-UHFFFAOYSA-N
• INCHI: 1S/C8H8F2O2/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4,11H,2H2,1H3
• Isomere SMILES: CCOC1=C(C(=C(C=C1)F)O)F
• PubChem CID: 55275768
• Molekulargewicht: 174.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds O-fluorophenols Fluorobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halophenol - 2-fluorophenol - Phenol ether - Phenoxy compound - Phenol - Alkyl aryl ether - Halobenzene - Fluorobenzene - 1-hydroxy-4-unsubstituted benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1092461-31-8, the molecular formula is C8H8F2O2, and the molecular weight is 174.15 g/mol. InChIKey MGBIYPQQWRPKLL-UHFFFAOYSA-N.

What documentation is provided?

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