Cas no 61348-47-8 (2-(5-Isoxazolyl)phenol)

2-(5-Isoxazolyl)phenol is a heterocyclic compound featuring a phenol group linked to an isoxazole ring at the 5-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The phenol moiety allows for further functionalization, while the isoxazole ring contributes to stability and potential bioactivity. Its well-defined molecular framework ensures consistent performance in coupling reactions and heterocyclic derivatization. The compound is typically supplied in high purity, ensuring reliability in research and industrial applications. Its balanced solubility in organic solvents facilitates handling in synthetic workflows. Suitable for controlled modifications, it serves as a versatile building block in medicinal chemistry and material science.
2-(5-Isoxazolyl)phenol structure
2-(5-Isoxazolyl)phenol structure
Product Name:2-(5-Isoxazolyl)phenol
CAS No:61348-47-8
MF:C9H7NO2
MW:161.157382249832
MDL:MFCD00218653
CID:90101
PubChem ID:578506
Update Time:2025-06-07

2-(5-Isoxazolyl)phenol Chemical and Physical Properties

Names and Identifiers

    • 2-(5-isoxazolyl)phenol
    • 6-(2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one
    • 2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYLAMINE
    • 2-(isooxazol-5-yl)phenol
    • 2-(isoxazol-5-yl)phenol
    • 5-(2-Hydroxyphenyl)-isoxazol
    • 5-(2-hydroxyphenyl)isoxazole
    • 5-(o-hydroxyphenyl)isoxazole
    • Phenol,2-(5-isoxazolyl)
    • 2-(1,2-Oxazol-5-Yl)Phenol
    • Phenol, 2-(5-isoxazolyl)-
    • 2-isoxazol-5-ylphenol
    • DBDXTIAEVFSDNN-UHFFFAOYSA-N
    • 2-(5-Isoxazolyl)-phenol
    • 2-(5-Isoxazolyl)phenol #
    • 2-ISOXAZOL-5-YL-PHENOL
    • BBL023542
    • STL283146
    • SBB087507
    • 6686AE
    • FCH
    • 97T
    • DTXSID60425715
    • FT-0691181
    • CS-0156679
    • SCHEMBL2415309
    • MFCD00218653
    • 2-(5-Isoxazolyl)phenol, 98%
    • SB37932
    • A868728
    • 9C-067
    • CHEMBL2148101
    • 61348-47-8
    • AKOS000478540
    • EN300-366517
    • 2-(5-Isoxazolyl)phenol
    • MDL: MFCD00218653
    • Inchi: 1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-5-6-10-12-9/h1-6,11H
    • InChI Key: DBDXTIAEVFSDNN-UHFFFAOYSA-N
    • SMILES: O1C(=CC=N1)C1C=CC=CC=1O

Computed Properties

  • Exact Mass: 161.04800
  • Monoisotopic Mass: 161.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 152
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 1.7
  • Topological Polar Surface Area: 46.3

Experimental Properties

  • Color/Form: solid
  • Density: 1.248
  • Melting Point: 183-186°C
  • Boiling Point: 320.88°C at 760 mmHg
  • Flash Point: 147.863°C
  • Refractive Index: 1.582
  • PSA: 46.26000
  • LogP: 2.04720

2-(5-Isoxazolyl)phenol Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

2-(5-Isoxazolyl)phenol Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(5-Isoxazolyl)phenol Pricemore >>

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2-(5-Isoxazolyl)phenol Production Method

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