Cas no 2967-66-0 (Methyl 4-(trifluoromethyl)benzoate)

Methyl 4-(trifluoromethyl)benzoate is a fluorinated aromatic ester with the molecular formula C9H7F3O2. It serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The trifluoromethyl group enhances the compound's lipophilicity and metabolic stability, making it valuable for modifying bioactive molecules. Its ester functionality allows for further derivatization, including hydrolysis or transesterification. The compound exhibits good thermal stability and solubility in common organic solvents, facilitating its use in reactions such as cross-coupling or nucleophilic substitution. Its well-defined structure and high purity make it suitable for research and industrial-scale processes requiring precise fluorinated building blocks.
Methyl 4-(trifluoromethyl)benzoate structure
2967-66-0 structure
Product Name:Methyl 4-(trifluoromethyl)benzoate
CAS No:2967-66-0
MF:C9H7F3O2
MW:204.145893335342
MDL:MFCD00042324
CID:43640
PubChem ID:520447
Update Time:2025-06-14

Methyl 4-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-(trifluoromethyl)benzoate
    • Methyl 4-Trifluoromethyl benzoate
    • 4-(TRIFLUOROMETHYL)BENZOIC ACID METHYL ESTER
    • METHYL ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUATE
    • METHYL P-(TRIFLUOROMETHYL)BENZOATE
    • RARECHEM AL BF 0111
    • n-Methyl-4-(Trifluoromethyl) Benzoate
    • Methyl 4-(Trifluoromethyl)Benoate
    • Methyl 4-(trifluoromethyl)benzoat
    • Methyl-4-(trifluoromethyl)benzoate
    • 4-CF3-C6H4-CO2Me
    • 4-trifluoromethylbenzoic acid methyl ester
    • methyl 4-(trifluoromethyl)-1-benzoate
    • Methyl α,α,α-Trifluoro-p-toluate
    • Methyl 4-trifluoromethylbenzoate
    • Benzoic acid, 4-(trifluoromethyl)-, methyl ester
    • Methyl-4-trifluoromethylbenzoate
    • 3-CF3-C6H4-COOCH3
    • VAZWXPJOOFSNLB-UHFFFAOYSA-N
    • 4-trifluoromethyl-benzoic acid methyl ester
    • PubChem14120
    • KSC495G5L
    • methyl p-trifluoromethylbenzoate
    • 2967-66-0
    • AKOS005259455
    • CS-W015431
    • MFCD00042324
    • AM20060388
    • EN300-28647
    • M1498
    • A16043
    • PS-8144
    • FT-0616916
    • SCHEMBL385370
    • Methyl4-(Trifluoromethyl)benzoate
    • DTXSID60334353
    • CHEMBL4637256
    • F0001-0918
    • XQANEVIRJUMTRG-UHFFFAOYSA-N
    • 4-(Trifluoromethyl)benzoic acid methyl ester; Methyl 4-(trifluoromethyl)benzoate;Methyl 4-(trifluoromethyl)benzoate
    • Methyl 4-(trifluoromethyl)benzoate, 99%
    • J-017596
    • AC-24970
    • 7N7Z9DHH5P
    • p-Toluic acid, alpha,alpha,alpha-trifluoro-, methyl ester
    • 4-Methoxycarbonylbenzotrifluoride
    • p-Toluic acid, alpha,alpha,alpha-trifluoro-, methyl ester (6CI,8CI); 4-Methoxycarbonylbenzotrifluoride; 4-Trifluoromethylbenzoic acid methyl ester; Methyl p-(trifluoromethyl)benzoate
    • DB-047622
    • MDL: MFCD00042324
    • Inchi: 1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
    • InChI Key: VAZWXPJOOFSNLB-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(C(=O)OC)=CC=1)(F)F
    • BRN: 1963288

Computed Properties

  • Exact Mass: 204.04000
  • Monoisotopic Mass: 204.039814
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 205
  • 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: 3.2
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Colorless transparent liquid, quasi white block solid in winter
  • Density: 1.268?g/mL?at 25?°C(lit.)
  • Melting Point: 13-14?°C (lit.)
  • Boiling Point: 94-95?°C/21?mmHg(lit.)
  • Flash Point: Fahrenheit: 179.6 ° f < br / > Celsius: 82 ° C < br / >
  • Refractive Index: n20/D 1.451(lit.)
  • PSA: 26.30000
  • LogP: 2.49200
  • Solubility: Not soluble in water

Methyl 4-(trifluoromethyl)benzoate Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S37/39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:Sealed in dry,Room Temperature
  • Safety Term:S26;S37/39
  • Risk Phrases:R36/37/38

Methyl 4-(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 4-(trifluoromethyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
006842-25g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 98%
25g
£13.00 2022-03-01
Fluorochem
006842-100g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 98%
100g
£41.00 2022-03-01
Fluorochem
006842-500g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 98%
500g
£147.00 2022-03-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M120314-5g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 99%
5g
¥29.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M120314-100g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 99%
100g
¥265.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M120314-25g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 99%
25g
¥95.90 2023-09-02
Chemenu
CM157102-500g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 95+%
500g
$142 2021-06-17
Chemenu
CM157102-1000g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 95+%
1000g
$220 2021-06-17
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R007695-100g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 99%
100g
¥158 2024-05-24
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R007695-25g
Methyl 4-(trifluoromethyl)benzoate
2967-66-0 99%
25g
¥40 2024-05-24

Methyl 4-(trifluoromethyl)benzoate Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2967-66-0)Methyl 4-trifluoromethylbenzoate
Order Number:sfd4720
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2967-66-0)Methyl4-(trifluoromethyl)benzoate
Order Number:LE14771
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:11
Price ($):discuss personally

Additional information on Methyl 4-(trifluoromethyl)benzoate

Recent Advances in the Application of Methyl 4-(trifluoromethyl)benzoate (CAS: 2967-66-0) in Chemical Biology and Pharmaceutical Research

Methyl 4-(trifluoromethyl)benzoate (CAS: 2967-66-0) is a key intermediate in the synthesis of various bioactive molecules and pharmaceuticals. Recent studies have highlighted its versatility in medicinal chemistry, particularly in the development of trifluoromethyl-containing compounds, which are known for their enhanced metabolic stability and bioavailability. This research briefing provides an overview of the latest advancements involving this compound, focusing on its synthetic applications, mechanistic insights, and potential therapeutic implications.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of Methyl 4-(trifluoromethyl)benzoate as a precursor in the synthesis of novel kinase inhibitors. The trifluoromethyl group was found to significantly improve the binding affinity of these inhibitors to their target proteins, offering new avenues for the treatment of cancer and inflammatory diseases. The study employed advanced computational modeling and X-ray crystallography to elucidate the structural basis of these interactions, providing valuable insights for future drug design.

In another significant development, researchers at a leading pharmaceutical company utilized Methyl 4-(trifluoromethyl)benzoate to develop a series of antiviral agents targeting RNA-dependent RNA polymerase (RdRp). The incorporation of the trifluoromethyl group was critical in enhancing the compounds' resistance to enzymatic degradation, as reported in a 2024 Nature Communications article. These findings underscore the compound's potential in addressing emerging viral threats, including those posed by RNA viruses.

Beyond its therapeutic applications, Methyl 4-(trifluoromethyl)benzoate has also been explored in chemical biology for probing enzyme mechanisms. A recent ACS Chemical Biology study (2024) detailed its use as a mechanistic probe in studying cytochrome P450 enzymes, revealing novel aspects of substrate recognition and catalysis. Such applications highlight the compound's dual role as both a synthetic building block and a tool for fundamental research.

Looking ahead, the continued exploration of Methyl 4-(trifluoromethyl)benzoate is expected to yield further innovations in drug discovery and chemical biology. Its unique physicochemical properties, combined with the growing demand for fluorinated pharmaceuticals, position it as a compound of enduring interest to researchers. Future studies may focus on optimizing its synthetic routes and expanding its applications in targeted therapies and diagnostic agents.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:2967-66-0)Methyl 4-trifluoromethylbenzoate
sfd4720
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:2967-66-0)Methyl4-(trifluoromethyl)benzoate
LE14771
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email