Cas no 187331-46-0 (Methyl 3-bromo-5-(trifluoromethyl)benzoate)

Methyl 3-bromo-5-(trifluoromethyl)benzoate is a versatile aromatic ester featuring both bromo and trifluoromethyl substituents, making it a valuable intermediate in organic synthesis. The bromine atom provides a reactive site for cross-coupling reactions, such as Suzuki or Heck couplings, while the electron-withdrawing trifluoromethyl group enhances reactivity in nucleophilic substitution and metalation processes. This compound is particularly useful in pharmaceutical and agrochemical research, where its structural motifs are often incorporated into bioactive molecules. Its stability under standard conditions and compatibility with a range of reaction conditions further contribute to its utility in synthetic chemistry. The ester functionality also allows for straightforward derivatization, expanding its applications in fine chemical synthesis.
Methyl 3-bromo-5-(trifluoromethyl)benzoate structure
187331-46-0 structure
Product Name:Methyl 3-bromo-5-(trifluoromethyl)benzoate
CAS No:187331-46-0
MF:C9H6BrF3O2
MW:283.041952610016
MDL:MFCD11847338
CID:850698
PubChem ID:18942156
Update Time:2025-05-28

Methyl 3-bromo-5-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-bromo-5-(trifluoromethyl)benzoate
    • Benzoic acid, 3-bromo-5-(trifluoromethyl)-, methyl ester
    • ACMC-209epl
    • AG-E-36386
    • AK-53643
    • ANW-23335
    • CTK4D9508
    • KB-54084
    • SureCN346670
    • Methyl 3-bromo-5-(trifluoromethyl)
    • Methyl3-bromo-5-(trifluroromethyl)benzoate
    • Methyl 3-bromo-5-(trifluororomethyl)benzoate
    • 3-bromo-5-(trifluoromethyl)-Benzoic acid methyl ester
    • METHYL 5-BROMO-3-(TRIFLUOROMETHYL)BENZOATE
    • CHJZZYDOCDJKFY-UHFFFAOYSA-N
    • methyl 3-bromo-5-trifluoromethylbenzoate
    • V3989
    • methyl 3-bromo-5-(trifluor
    • SCHEMBL346670
    • US11634391, Compound 188
    • DS-14262
    • MFCD11847338
    • CS-0041179
    • 187331-46-0
    • 3-bromo-5-trifluoromethyl-benzoic acid methyl ester
    • methyl 3-bromo-5-(trifluoromethyl)-benzoate
    • METHYL3-BROMO-5-(TRIFLUOROMETHYL)BENZOATE
    • DTXSID40596699
    • AKOS015834171
    • SY129313
    • BDBM600937
    • US11634391, Compound 211
    • MDL： MFCD11847338
    • Inchi： 1S/C9H6BrF3O2/c1-15-8(14)5-2-6(9(11,12)13)4-7(10)3-5/h2-4H,1H3
    • InChI Key： CHJZZYDOCDJKFY-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)OC)C=C(C(F)(F)F)C=1

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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 3.4

Experimental Properties

  • Boiling Point: 248.9℃/760mmHg
  • PSA: 26.30000
  • LogP: 3.25450

Methyl 3-bromo-5-(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%

Methyl 3-bromo-5-(trifluoromethyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M182342-100g
Methyl 3-bromo-5-(trifluoromethyl)benzoate
 187331-46-0 98%
100g
 ￥2134.90 2023-09-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M182342-25g
Methyl 3-bromo-5-(trifluoromethyl)benzoate
 187331-46-0 98%
25g
 ￥667.90 2023-09-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M182342-5g
Methyl 3-bromo-5-(trifluoromethyl)benzoate
 187331-46-0 98%
5g
 ￥182.90 2023-09-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M182342-1g
Methyl 3-bromo-5-(trifluoromethyl)benzoate
 187331-46-0 98%
1g
 ￥49.90 2023-09-01
Alichem
A015008137-25g
Methyl 3-bromo-5-(trifluoromethyl)benzoate
 187331-46-0 97%
25g
 $998.00 2023-09-02
Chemenu
CM250733-10g
Methyl 3-bromo-5-(trifluoromethyl)benzoate
 187331-46-0 95+%
10g
 $112 2021-06-16
Chemenu
CM250733-25g
Methyl 3-bromo-5-(trifluoromethyl)benzoate
 187331-46-0 95+%
25g
 $196 2021-06-16
Chemenu
CM250733-100g
Methyl 3-bromo-5-(trifluoromethyl)benzoate
 187331-46-0 95+%
100g
 $524 2021-06-16
TRC
M296565-10mg
Methyl 3-Bromo-5-(trifluoromethyl)benzoate
 187331-46-0
10mg
 $ 50.00 2022-06-04
TRC
M296565-50mg
Methyl 3-Bromo-5-(trifluoromethyl)benzoate
 187331-46-0
50mg
 $ 65.00 2022-06-04

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