Cas no 26107-80-2 (Methyl 3,5-bis(trifluoromethyl)benzoate)

Methyl 3,5-bis(trifluoromethyl)benzoate is a fluorinated aromatic ester characterized by the presence of two trifluoromethyl groups at the 3- and 5-positions of the benzene ring. This structural feature enhances its electron-withdrawing properties, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The trifluoromethyl groups contribute to increased lipophilicity and metabolic stability, which are advantageous in drug design. The compound exhibits high chemical stability and reactivity in cross-coupling reactions, facilitating its use in constructing complex molecular frameworks. Its well-defined purity and consistent performance make it suitable for precision applications in research and industrial processes.
Methyl 3,5-bis(trifluoromethyl)benzoate structure
26107-80-2 structure
Product Name:Methyl 3,5-bis(trifluoromethyl)benzoate
CAS No:26107-80-2
MF:C10H6F6O2
MW:272.143864154816
MDL:MFCD00052317
CID:88643
PubChem ID:141265
Update Time:2025-08-04

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

Names and Identifiers

    • Methyl 3,5-bis(trifluoromethyl)benzoate
    • Methyl 3,5-di(trifluoromethyl)benzoate
    • Methyl 3,5-di(trifluoromethyl)benzoate radical
    • methyl-3,5-bis(trifluoromethyl)benzoate
    • Methyl-3,5-bistrifluoromethylbenzoat
    • RARECHEM AL BF 0207
    • Methyl 3,5-bistrifluoromethylbenzoate
    • Benzoic acid, 3,5-bis(trifluoromethyl)-, methyl ester
    • methyl3,5-bis(trifluoromethyl)benzoate
    • 3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID METHYL ESTER
    • PubChem4989
    • LTYNBDAJUXZFHP-UHFFFAOYSA-N
    • methyl 3,5-diCF3-benzoate radical
    • S
    • SCHEMBL1999038
    • AKOS015852711
    • CS-W022815
    • A19960
    • 2-(HYDROXY-P-TOLYL-METHYL)-ACRYLICACIDMETHYLESTER
    • MFCD00052317
    • PS-7273
    • DTXSID20180737
    • LKZFXMXWEMPJRF-UHFFFAOYSA-N
    • 3,5-bis-(trifluoromethyl)benzoic acid methyl ester
    • FT-0628504
    • 3,5-Bis-trifluoromethyl-benzoic acid methyl ester
    • NS00134138
    • Methyl 3 pound not5-bis(trifluoromethyl)benzoate
    • 26107-80-2
    • O11896
    • 3,5-bis-(trifluoromethyl)-benzoic acid methyl ester
    • AC-3900
    • DB-067531
    • MDL： MFCD00052317
    • Inchi： 1S/C10H6F6O2/c1-18-8(17)5-2-6(9(11,12)13)4-7(3-5)10(14,15)16/h2-4H,1H3
    • InChI Key： LTYNBDAJUXZFHP-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C(=O)OC)C=C(C(F)(F)F)C=1)(F)F

Computed Properties

  • Exact Mass: 272.02700
  • Monoisotopic Mass: 272.027
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 287
  • 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: 3.5
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.400±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 208.1±40.0 oC (760 Torr),
  • Flash Point: 56.8±28.0 oC,
  • Refractive Index: 1.408
  • Solubility: Very slightly soluble (0.16 g/l) (25 o C),
  • PSA: 26.30000
  • LogP: 3.51080
  • Solubility: Not determined

Methyl 3,5-bis(trifluoromethyl)benzoate Security Information

Methyl 3,5-bis(trifluoromethyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
002681-100g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
100g
 1153CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
002681-25g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
25g
 341CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-BG213-1g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
1g
 40CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-BG213-25g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
25g
 224CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-BG213-5g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
5g
 60.0CNY 2021-07-12
Fluorochem
006796-1g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
1g
 ￡10.00 2022-02-28
Fluorochem
006796-10g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
10g
 ￡10.00 2022-02-28
Fluorochem
006796-25g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
25g
 ￡18.00 2022-02-28
Fluorochem
006796-100g
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 98%
100g
 ￡54.00 2022-02-28
Alichem
A015008063-250mg
Methyl 3,5-bis(trifluoromethyl)benzoate
 26107-80-2 97%
250mg
 $504.00 2023-09-02

Methyl 3,5-bis(trifluoromethyl)benzoate Related Literature

26107-80-2 (Methyl 3,5-bis(trifluoromethyl)benzoate) Related Products

Recommended suppliers
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.