(2-Ethoxy-3,5-difluorophenyl)methanol , CAS No.1017779-81-5

CAS: 1017779-81-5 Cat. No.: E1014926 Formule: C₉H₁₀F₂O₂ Poids moléculaire: 188.17 PubChem CID: 46737633

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: CCOC1=C(C=C(C=C1F)F)CO
• IUPAC Name: (2-ethoxy-3,5-difluorophenyl)methanol
• InChIKey: RUYKUBORNPIPTF-UHFFFAOYSA-N
• INCHI: 1S/C9H10F2O2/c1-2-13-9-6(5-12)3-7(10)4-8(9)11/h3-4,12H,2,5H2,1H3
• Isomères SMILES: CCOC1=C(C=C(C=C1F)F)CO
• PubChem CID: 46737633
• Poids moléculaire: 188.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzyl alcohols Fluorobenzenes Alkyl aryl ethers Aryl fluorides Primary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzyl alcohol - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Aromatic alcohol - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 188.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 188.065 Da
• Monoisotopic Mass: 188.065 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 155.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1017779-81-5, the molecular formula is C9H10F2O2, and the molecular weight is 188.17 g/mol. InChIKey RUYKUBORNPIPTF-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.