Cas no 5067-24-3 (1,3-Propanedione,1-(5-bromo-2-hydroxyphenyl)-3-phenyl-)

1,3-Propanedione,1-(5-bromo-2-hydroxyphenyl)-3-phenyl- structure
5067-24-3 structure
Product Name:1,3-Propanedione,1-(5-bromo-2-hydroxyphenyl)-3-phenyl-
CAS No:5067-24-3
MF:C15H11BrO3
MW:319.150043725967
CID:376717
PubChem ID:736163
Update Time:2025-04-19

1,3-Propanedione,1-(5-bromo-2-hydroxyphenyl)-3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanedione,1-(5-bromo-2-hydroxyphenyl)-3-phenyl-
    • 1-(5-bromo-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
    • 1-(5-BROMO-2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE
    • SCHEMBL1528406
    • AKOS024370895
    • DTXSID50352945
    • QKZDINXTJFUKGF-UHFFFAOYSA-N
    • 5067-24-3
    • MDL: MFCD00209552
    • Inchi: 1S/C15H11BrO3/c16-11-6-7-13(17)12(8-11)15(19)9-14(18)10-4-2-1-3-5-10/h1-8,17H,9H2
    • InChI Key: QKZDINXTJFUKGF-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)C(CC(C1C=CC=CC=1)=O)=O)O

Computed Properties

  • Exact Mass: 317.98900
  • Monoisotopic Mass: 317.989
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 336
  • 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
  • Surface Charge: 0
  • Tautomer Count: 11
  • XLogP3: 4
  • Topological Polar Surface Area: 54.4A^2

Experimental Properties

  • Color/Form: Yellow crystalline powder
  • Density: 1.554
  • Melting Point: 100-103?°C(lit.)
  • Boiling Point: 480.5°Cat760mmHg
  • Flash Point: 244.4°C
  • Refractive Index: 1.671
  • PSA: 54.37000
  • LogP: 3.61040
  • Solubility: Insoluble in water

1,3-Propanedione,1-(5-bromo-2-hydroxyphenyl)-3-phenyl- Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

1,3-Propanedione,1-(5-bromo-2-hydroxyphenyl)-3-phenyl- Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

1,3-Propanedione,1-(5-bromo-2-hydroxyphenyl)-3-phenyl- Pricemore >>

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