Cas no 1365271-42-6 (Methyl 4-4-fluoro-3-(trifluoromethyl)phenylbenzoate)

Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate is a fluorinated aromatic ester with significant utility in pharmaceutical and agrochemical research. Its structure, featuring both fluoro and trifluoromethyl substituents, enhances electron-withdrawing properties, making it valuable as an intermediate in synthesizing bioactive compounds. The compound exhibits high chemical stability and reactivity in cross-coupling reactions, facilitating the development of advanced materials and active ingredients. Its precise molecular design allows for tailored modifications in drug discovery, particularly in optimizing pharmacokinetic properties. The ester group further provides versatility for downstream functionalization, supporting applications in medicinal chemistry and specialty chemical synthesis.

Methyl 4-4-fluoro-3-(trifluoromethyl)phenylbenzoate structure

1365271-42-6 structure

Product Name:Methyl 4-4-fluoro-3-(trifluoromethyl)phenylbenzoate

CAS No:1365271-42-6

MF:C₁₅H₁₀F₄O₂

MW:298.232318401337

MDL:MFCD21609729

CID:1037664

PubChem ID:70699724

Update Time:2025-06-09

Methyl 4-4-fluoro-3-(trifluoromethyl)phenylbenzoate Chemical and Physical Properties

Names and Identifiers

- Methyl 4'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate
- ACMC-209c6b
- AK108079
- ANW-20049
- CTK8B0482
- KB-257125
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-fluoro-3'-(trifluoromethyl)-, methyl ester
- DTXSID60742838
- Methyl4'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate
- Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate
- 1365271-42-6
- BS-20715
- FPIJQZDDAVVHKQ-UHFFFAOYSA-N
- MFCD21609729
- Methyl 4'-fluoro-3'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate
- Methyl 4-4-fluoro-3-(trifluoromethyl)phenylbenzoate
- MDL： MFCD21609729
- Inchi： 1S/C15H10F4O2/c1-21-14(20)10-4-2-9(3-5-10)11-6-7-13(16)12(8-11)15(17,18)19/h2-8H,1H3
- InChI Key： FPIJQZDDAVVHKQ-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1C(F)(F)F)C1C=CC(C(=O)OC)=CC=1

Computed Properties

Exact Mass: 298.06169221g/mol
Monoisotopic Mass: 298.06169221g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 21
Rotatable Bond Count: 4
Complexity: 361
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: 4.4
Topological Polar Surface Area: 26.3?2

Methyl 4-4-fluoro-3-(trifluoromethyl)phenylbenzoate Pricemore >>

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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	M181316-1g	Methyl 4-4-fluoro-3-(trifluoromethyl)phenylbenzoate	1365271-42-6	98%	1g	￥3510.90	2023-09-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	M181316-250mg	Methyl 4-4-fluoro-3-(trifluoromethyl)phenylbenzoate	1365271-42-6	98%	250mg	￥1761.90	2023-09-01
Alichem	A019122809-1g	Methyl 4'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate	1365271-42-6	95%	1g	432.63 USD	2021-06-16
TRC	M305645-25mg	Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate	1365271-42-6		25mg	$92.00	2023-05-17
TRC	M305645-50mg	Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate	1365271-42-6		50mg	$150.00	2023-05-17
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Ambeed	A757599-1g	Methyl 4'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate	1365271-42-6	98%	1g	$581.0	2024-04-24
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