Cas no 107317-58-8 (Methyl 4-bromo-3-(trifluoromethyl)benzoate)

Methyl 4-bromo-3-(trifluoromethyl)benzoate structure
107317-58-8 structure
Product Name:Methyl 4-bromo-3-(trifluoromethyl)benzoate
CAS No:107317-58-8
MF:C9H6BrF3O2
MW:283.041952610016
MDL:MFCD10566409
CID:135612
PubChem ID:10891333
Update Time:2024-11-03

Methyl 4-bromo-3-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-bromo-3-(trifluoromethyl)benzoate
    • Benzoic acid,4-bromo-3-(trifluoromethyl)-, methyl ester
    • Methyl 4-bromo-3-trifluoromethylbenzoate
    • 4-Bromo-3-(trifluoromethyl)benzoic acid methyl ester
    • Methyl 4-bromo-3-(trifluoromethyl)
    • 3-trifluoromethyl-methyl-4- bromobenzoate
    • Methyl 4-Bromo-3-trifluoromethyl benzonate
    • 2-Bromo-5-(methoxycarbonyl)benzotrifluoride
    • 4-Bromo-3-(trifluoromethyl)benzoicacidmethylest
    • 2-Bromo-5-(methoxycarbonyl)benzotrifluoride, Methyl 4-bromo-alpha,alpha,alpha-trifluoro-m-toluate
    • Methyl 4-bromo-3-(trifluoromethyl)benzoate 98%
    • Benzoic acid, 4-bromo-3-(trifluoromethyl)-, methyl ester
    • PubChem15238
    • Methyl4-bromo-3-(trifluoromethyl)benzoate
    • DTVRLJMSCKUEEN-UHFFFAOYSA-N
    • AM61272
    • U385
    • SY043321
    • Methyl 4-bromo-3-trifluoromethyl
    • C9H6BrF3O2
    • Methyl 4-bromo-3-trifluoromethyl benzoate
    • BC003992
    • 4-Bromo-3-trifluoromethyl-benzoic acid methyl ester
    • PS-7212
    • methyl 4-bromo-3-(trifluoromethyl)benzoate;Methyl 4-bromo-3-trifluoromethyl benzoate
    • CS-W019106
    • DTXSID80447393
    • SCHEMBL321308
    • 107317-58-8
    • MFCD10566409
    • A801668
    • FT-0701016
    • AKOS015912153
    • DB-059619
    • MDL： MFCD10566409
    • Inchi： 1S/C9H6BrF3O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
    • InChI Key： DTVRLJMSCKUEEN-UHFFFAOYSA-N
    • SMILES： BrC1=CC=C(C(=O)OC)C=C1C(F)(F)F

Computed Properties

  • Exact Mass: 281.95000
  • Monoisotopic Mass: 281.95033g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: nothing
  • XLogP3: 3.4
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.598
  • Melting Point: 58-63°C
  • Boiling Point: 274 oC
  • Flash Point: 120 oC
  • PSA: 26.30000
  • LogP: 3.25450

Methyl 4-bromo-3-(trifluoromethyl)benzoate Security Information

Methyl 4-bromo-3-(trifluoromethyl)benzoate 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%

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Methyl 4-bromo-3-(trifluoromethyl)benzoate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  12 h, 35 °C
Reference
Visible-Light Photoredox Decarboxylation of Perfluoroarene Iodine(III) Trifluoroacetates for C-H Trifluoromethylation of (Hetero)arenes
Yang, Bin; Yu, Donghai; Xu, Xiu-Hua; Qing, Feng-Ling, ACS Catalysis, 2018, 8(4), 2839-2843

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