Cas no 453565-90-7 (3-Bromo-5-(trifluoromethoxy)benzoic acid)

3-Bromo-5-(trifluoromethoxy)benzoic acid structure
453565-90-7 structure
Product Name:3-Bromo-5-(trifluoromethoxy)benzoic acid
CAS No:453565-90-7
MF:C8H4BrF3O3
MW:285.014772415161
MDL:MFCD04116041
CID:328157
PubChem ID:2782843
Update Time:2025-04-19

3-Bromo-5-(trifluoromethoxy)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-(trifluoromethoxy)benzoic acid
    • Benzoic acid,3-bromo-5-(trifluoromethoxy)-
    • 3-Bromo-5-(trifluoromethoxy)Benzoicacid
    • 3-Bromo-5-(trifluoromethoxy)benzoic acid, AldrichCPR
    • SCHEMBL1871974
    • AKOS015834273
    • DTXSID40382337
    • J-511977
    • CS-W021863
    • PS-7193
    • Z1509717102
    • 3-Bromo-5-trifluoromethoxy-benzoic acid
    • 3-Bromo-5-trifluoromethoxybenzoic acid
    • SY109909
    • DS-1641
    • MFCD04116041
    • FT-0650888
    • EN300-141070
    • A19968
    • AMY14531
    • 453565-90-7
    • DB-006374
    • MDL： MFCD04116041
    • Inchi： 1S/C8H4BrF3O3/c9-5-1-4(7(13)14)2-6(3-5)15-8(10,11)12/h1-3H,(H,13,14)
    • InChI Key： OYWFMHKHBDYTKB-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)O)C=C(C=1)OC(F)(F)F

Computed Properties

  • Exact Mass: 283.93000
  • Monoisotopic Mass: 283.92959g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 244
  • 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
  • XLogP3: 3.3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.797±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 87-89℃
  • Boiling Point: 290.6±40.0 oC (760 Torr),
  • Flash Point: 129.6±27.3 oC,
  • Solubility: Very slightly soluble (0.15 g/l) (25 o C),
  • PSA: 46.53000
  • LogP: 3.04590

3-Bromo-5-(trifluoromethoxy)benzoic acid Security Information

  • Hazardous Material Identification： Xi

3-Bromo-5-(trifluoromethoxy)benzoic acid Customs Data

  • HS CODE：2918990090
  • Customs Data：

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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