Cas no 7064-33-7 (5-(3-Bromophenyl)isoxazole)

5-(3-Bromophenyl)isoxazole structure
5-(3-Bromophenyl)isoxazole structure
Product Name:5-(3-Bromophenyl)isoxazole
CAS No:7064-33-7
MF:C9H6BrNO
MW:224.054041385651
MDL:MFCD02183531
CID:85823
PubChem ID:2735607
Update Time:2025-09-22

5-(3-Bromophenyl)isoxazole Chemical and Physical Properties

Names and Identifiers

    • 5-(3-Bromophenyl)isoxazole
    • 5-(3-bromophenyl)-1,2-oxazole
    • BS-24526
    • AKOS009159202
    • FT-0703773
    • SCHEMBL2278361
    • 5-(3-Bromophenyl)isoxazole, AldrichCPR
    • DTXSID70370828
    • MFCD02183531
    • 7064-33-7
    • A866581
    • J-516158
    • Isoxazole,5-(3-bromophenyl)-
    • CS-0187809
    • D95993
    • DB-010871
    • MDL: MFCD02183531
    • Inchi: 1S/C9H6BrNO/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H
    • InChI Key: RVTONCSWDXJDIN-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C1=CC=NO1

Computed Properties

  • Exact Mass: 222.96300
  • Monoisotopic Mass: 222.963
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 154
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: Not available
  • Density: 1.524
  • Melting Point: 66 °C
  • Boiling Point: 320.7°Cat760mmHg
  • Flash Point: 147.7°C
  • Refractive Index: 1.643
  • PSA: 26.03000
  • LogP: 3.10410
  • Solubility: Not available

5-(3-Bromophenyl)isoxazole Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: Xi

5-(3-Bromophenyl)isoxazole 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%

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