Cas no 773138-37-7 (benzoic acid, 4-methoxy-3-(trifluoromethyl)-, ethyl ester)

Ethyl 4-methoxy-3-(trifluoromethyl)benzoate is a fluorinated aromatic ester with applications in pharmaceutical and agrochemical synthesis. The compound features a trifluoromethyl (–CF?) group and a methoxy (–OCH?) substituent on the benzoate ring, enhancing its electron-withdrawing properties and metabolic stability. The ethyl ester moiety improves solubility in organic solvents, facilitating its use as an intermediate in coupling reactions or derivatization processes. Its structural attributes make it valuable for designing bioactive molecules, particularly in the development of enzyme inhibitors or receptor modulators. The compound’s stability under mild conditions and compatibility with common synthetic methodologies further underscore its utility in fine chemical synthesis.

benzoic acid, 4-methoxy-3-(trifluoromethyl)-, ethyl ester structure

773138-37-7 structure

Product Name:benzoic acid, 4-methoxy-3-(trifluoromethyl)-, ethyl ester

CAS No:773138-37-7

MF:C₁₁H₁₁F₃O₃

MW:248.198454141617

CID:1783829

PubChem ID:46311409

Update Time:2025-05-27

benzoic acid, 4-methoxy-3-(trifluoromethyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

- benzoic acid, 4-methoxy-3-(trifluoromethyl)-, ethyl ester
- Ethyl 4-methoxy-3-(trifluoromethyl)benzoate
- LogP
- 4-Methoxy-3-trifluoromethyl-benzoic acid ethyl ester
- SCHEMBL14776123
- E89899
- CS-0195455
- ethyl4-methoxy-3-(trifluoromethyl)benzoate
- IYGJWSZIZFKJAS-UHFFFAOYSA-N
- DA-02891
- 773138-37-7
- MDL： MFCD06205016
- Inchi： 1S/C11H11F3O3/c1-3-17-10(15)7-4-5-9(16-2)8(6-7)11(12,13)14/h4-6H,3H2,1-2H3
- InChI Key： IYGJWSZIZFKJAS-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=O)OCC)C=CC=1OC)(F)F

Computed Properties

Exact Mass: 248.06602869g/mol
Monoisotopic Mass: 248.06602869g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 17
Rotatable Bond Count: 5
Complexity: 265
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
XLogP3: 3
Topological Polar Surface Area: 35.5?2

benzoic acid, 4-methoxy-3-(trifluoromethyl)-, ethyl ester Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A015000711-250mg	Ethyl 4-methoxy-3-(trifluoromethyl)benzoate	773138-37-7	97%	250mg	$475.20	2023-09-01
Alichem	A015000711-500mg	Ethyl 4-methoxy-3-(trifluoromethyl)benzoate	773138-37-7	97%	500mg	$806.85	2023-09-01
Alichem	A015000711-1g	Ethyl 4-methoxy-3-(trifluoromethyl)benzoate	773138-37-7	97%	1g	$1475.10	2023-09-01
A2B Chem LLC	AH57167-10g	Benzoic acid, 4-Methoxy-3-(trifluoroMethyl)-, ethyl ester	773138-37-7	95%+	10g	$1260.00	2024-04-19
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1266125-500mg	Ethyl 4-methoxy-3-(trifluoromethyl)benzoate	773138-37-7	97%	500mg	￥1035.00	2024-07-28
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1266125-1g	Ethyl 4-methoxy-3-(trifluoromethyl)benzoate	773138-37-7	97%	1g	￥1194.00	2024-07-28
Aaron	AR00G92Z-1g	Benzoic acid, 4-Methoxy-3-(trifluoroMethyl)-, ethyl ester	773138-37-7	95%	1g	$800.00	2025-02-12
Aaron	AR00G92Z-250mg	Benzoic acid, 4-Methoxy-3-(trifluoroMethyl)-, ethyl ester	773138-37-7	95%	250mg	$500.00	2025-02-12
Crysdot LLC	CD12032057-5g	Ethyl 4-methoxy-3-(trifluoromethyl)benzoate	773138-37-7	97%	5g	$326	2024-07-24
Crysdot LLC	CD12032057-10g	Ethyl 4-methoxy-3-(trifluoromethyl)benzoate	773138-37-7	97%	10g	$419	2024-07-24