Cas no 560131-64-8 (Methyl 3-Bromo-5-tert-butylbenzoate)

Methyl 3-Bromo-5-tert-butylbenzoate structure
560131-64-8 structure
Product Name:Methyl 3-Bromo-5-tert-butylbenzoate
CAS No:560131-64-8
MF:C12H15BrO2
MW:271.150303125381
CID:820676
PubChem ID:21075153
Update Time:2025-04-19

Methyl 3-Bromo-5-tert-butylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-bromo-5-(tert-butyl)benzoate
    • 3-bromo-5-(1,1-dimethylethyl)Benzoic acid methyl ester
    • 3-Bromo-5-tert-butylbenzoic acid methyl ester
    • METHYL 3-BROMO-5-TERT-BUTYLBENZOATE
    • MFCD03840763
    • DB-072080
    • XKPPDPWHRHLELX-UHFFFAOYSA-N
    • methyl-3-bromo-5-tert-butylbenzoate
    • J-522673
    • Methyl-3-tert-butyl-5-bromo-benzoate
    • Benzoic acid, 3-bromo-5-(1,1-dimethylethyl)-, methyl ester
    • AKOS015852131
    • DTXSID00610562
    • 560131-64-8
    • CS-0312276
    • SCHEMBL3737467
    • AB16633
    • 3-BROMO-5-TERT-BUTYL-METHYL BENZOATE
    • Methyl 3-Bromo-5-tert-butylbenzoate
    • MDL： MFCD03840763
    • Inchi： 1S/C12H15BrO2/c1-12(2,3)9-5-8(11(14)15-4)6-10(13)7-9/h5-7H,1-4H3
    • InChI Key： XKPPDPWHRHLELX-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)OC)C=C(C=1)C(C)(C)C

Computed Properties

  • Exact Mass: 270.02600
  • Monoisotopic Mass: 270.026
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 232
  • 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: 26.3A^2
  • XLogP3: 4.1

Experimental Properties

  • Density: 1.289±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 293.3 °C at 760 mmHg
  • Flash Point: 131.2 °C
  • Refractive Index: 1.521
  • Solubility: Almost insoluble (0.035 g/l) (25 o C),
  • PSA: 26.30000
  • LogP: 3.53320

Methyl 3-Bromo-5-tert-butylbenzoate Security Information

  • HazardClass：IRRITANT

Methyl 3-Bromo-5-tert-butylbenzoate Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Methyl 3-Bromo-5-tert-butylbenzoate Pricemore >>

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