Cas no 583-02-8 (Ethyl 4-(trifluoromethyl)benzoate)
Ethyl 4-(trifluoromethyl)benzoate is a fluorinated aromatic ester with the molecular formula C10H9F3O2. This compound features a trifluoromethyl (-CF3) group at the para position of the benzoate ring, enhancing its electron-withdrawing properties and chemical stability. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The ethyl ester group improves solubility in organic solvents, facilitating reactions such as hydrolysis, transesterification, and nucleophilic substitution. Its high purity and well-defined structure make it suitable for precise synthetic applications. The trifluoromethyl group contributes to increased lipophilicity and metabolic stability, making it valuable in drug design. Storage under inert conditions is recommended to maintain its integrity.
583-02-8 structure
Product Name:Ethyl 4-(trifluoromethyl)benzoate
CAS No:583-02-8
MF:C10H9F3O2
MW:218.172473669052
MDL:MFCD00013563
CID:82575
PubChem ID:354335364
Update Time:2025-07-02
Ethyl 4-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-(trifluoromethyl)benzoate
- 4-(Trifluoromethyl)benzoic acid ethyl ester
- ethyl 4-trifluoromethylbenzoate
- ZQDADDSPMCHZPX-UHFFFAOYSA-N
- 4-Trifluoromethylbenzoic acid, ethyl ester
- Benzoic acid, 4-(trifluoromethyl)-, ethyl ester
- Ethyl 4-trifluoromethyl benzoate
- PubChem16913
- Ethyl-p-trifluoromethylbenzoate
- ethyl-4-trifluoromethyl benzoate
- ethyl-4-(trifluoromethyl)benzoate
- SBB095540
- 4-trifluoromethylbenzoic acid ethyl ester
- 4-trifluoromethylbenzoic acid ester
- AKOS008948271
- MFCD00013563
- 583-02-8
- SCHEMBL668192
- CS-0042073
- 31083-14-4
- DS-5181
- FT-0626051
- SY016093
- 2-{[(4-Chlorophenyl)amino]carbonyl}cyclohexanecarboxylicacid
- FT-0616915
- E1330
- DB-053178
- Ethyl-p-trifluoromethylbenzoate;ethyl 4-(trifluoromethyl)benzoate
-
- MDL： MFCD00013563
- Inchi： 1S/C10H9F3O2/c1-2-15-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3
- InChI Key： ZQDADDSPMCHZPX-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C(=O)OCC)=CC=1)(F)F
- BRN： 1968247
Computed Properties
- Exact Mass: 218.05500
- Monoisotopic Mass: 218.05546401g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 1.23
- Boiling Point: 80°C/5mmHg(lit.)
- Flash Point: 78-80°C/5mm
- Refractive Index: 1.447
- PSA: 26.30000
- LogP: 2.88210
Ethyl 4-(trifluoromethyl)benzoate Security Information
- Prompt：warning
- Hazard Statement： H227
- Warning Statement： P210-P280-P403+P235-P501
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S36
- RTECS：LZ4958000
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
- Safety Term：S24/25
Ethyl 4-(trifluoromethyl)benzoate Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
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%
Ethyl 4-(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019097846-100g |
Ethyl 4-(trifluoromethyl)benzoate |
583-02-8 | 95% | 100g |
$166.40 | 2023-09-01 | |
| Chemenu | CM158232-100g |
Ethyl 4-(trifluoromethyl)benzoate |
583-02-8 | 95% | 100g |
$163 | 2021-06-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | E1330-5g |
Ethyl 4-(Trifluoromethyl)benzoate |
583-02-8 | 98.0%(GC) | 5g |
245CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | E1330-25g |
Ethyl 4-(Trifluoromethyl)benzoate |
583-02-8 | 98.0%(GC) | 25g |
855CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 006388-100g |
Ethyl 4-(Trifluoromethyl)benzoate |
583-02-8 | 97% | 100g |
4014CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-IL163-25g |
Ethyl 4-(Trifluoromethyl)benzoate |
583-02-8 | 97% | 25g |
486CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T862822-5g |
4-(Trifluoromethyl)benzoic Acid Ethyl Ester |
583-02-8 | ≥98%(GC) | 5g |
￥169.20 | 2022-08-31 | |
| Fluorochem | 006147-1g |
Ethyl 4-(trifluoromethyl)benzoate |
583-02-8 | 97% | 1g |
￡10.00 | 2022-03-01 | |
| Fluorochem | 006147-5g |
Ethyl 4-(trifluoromethyl)benzoate |
583-02-8 | 97% | 5g |
￡13.00 | 2022-03-01 | |
| Fluorochem | 006147-10g |
Ethyl 4-(trifluoromethyl)benzoate |
583-02-8 | 97% | 10g |
￡22.00 | 2022-03-01 |
Ethyl 4-(trifluoromethyl)benzoate Related Literature
-
Shelli A. Miller,Nicholas E. Leadbeater RSC Adv. 2015 5 93248
-
Daniele Ragno,Olga Bortolini,Pier Paolo Giovannini,Alessandro Massi,Salvatore Pacifico,Anna Zaghi Org. Biomol. Chem. 2014 12 5733
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Cheng Qian,Jiayan Chen,Meiqin Fu,Shiya Zhu,Wen-Hua Chen,Huanfeng Jiang,Wei Zeng Org. Biomol. Chem. 2013 11 6013
-
Daniele Ragno,Anna Zaghi,Graziano Di Carmine,Pier Paolo Giovannini,Olga Bortolini,Marco Fogagnolo,Alessandra Molinari,Alessandro Venturini,Alessandro Massi Org. Biomol. Chem. 2016 14 9823
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acid esters
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Benzoic acid esters
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
583-02-8 (Ethyl 4-(trifluoromethyl)benzoate) Related Products
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