Cas no 1214334-90-3 (Methyl 2-bromo-4-(trifluoromethyl)benzoate)
Methyl 2-bromo-4-(trifluoromethyl)benzoate is a versatile aromatic ester featuring both bromo and trifluoromethyl functional groups, making it a valuable intermediate in organic synthesis. The bromine substituent facilitates further functionalization via cross-coupling reactions, while the electron-withdrawing trifluoromethyl group enhances reactivity in electrophilic substitutions. This compound is particularly useful in pharmaceutical and agrochemical research, where its structural motifs are often incorporated into bioactive molecules. Its ester group allows for straightforward hydrolysis or transesterification, enabling flexible downstream modifications. The compound is typically supplied with high purity, ensuring reliable performance in synthetic applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
1214334-90-3 structure
Product Name:Methyl 2-bromo-4-(trifluoromethyl)benzoate
CAS No:1214334-90-3
MF:C9H6BrF3O2
MW:283.041952610016
MDL:MFCD14697995
CID:1037076
PubChem ID:46311084
Update Time:2025-06-06
Methyl 2-bromo-4-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-bromo-4-(trifluoromethyl)benzoate
- 2-Bromo-4-(trifluoromethyl)benzoic acid methyl ester
- AK109961
- METHYL 2-BROMO-4-TRIFLUOROMETHYLBENZOATE
- BKSKYELSIMPUNZ-UHFFFAOYSA-N
- CL8928
- AX8228183
- AB0036625
- Y3827
- ST24047685
- 2-Bromo-4-trifluoromethyl-benzoic acid methyl ester
- Benzoicacid,2-bromo-4-(trifluoromethyl)-,methylester
- Benzoic acid, 2-bromo-4-(trifluorometh
- AKOS016009186
- A891763
- CS-0041178
- Benzoic acid, 2-bromo-4-(trifluoromethyl)-, methyl ester
- DTXSID00673197
- AS-19684
- SY108268
- Methyl2-bromo-4-(trifluoromethyl)benzoate
- MFCD14697995
- SCHEMBL421443
- 1214334-90-3
-
- MDL: MFCD14697995
- Inchi: 1S/C9H6BrF3O2/c1-15-8(14)6-3-2-5(4-7(6)10)9(11,12)13/h2-4H,1H3
- InChI Key: BKSKYELSIMPUNZ-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(F)(F)F)C=CC=1C(=O)OC
Computed Properties
- Exact Mass: 281.95000
- Monoisotopic Mass: 281.95033g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 242
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 3.4
Experimental Properties
- PSA: 26.30000
- LogP: 3.25450
Methyl 2-bromo-4-(trifluoromethyl)benzoate Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Storage Condition:Store at room temperature
Methyl 2-bromo-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%
Methyl 2-bromo-4-(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M296350-100mg |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | M296350-250mg |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | M296350-500mg |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | M296350-1g |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 1g |
$ 80.00 | 2022-06-04 | ||
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD228183-100mg |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 95% | 100mg |
¥44.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD228183-250mg |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 95% | 250mg |
¥79.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD228183-1g |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 95% | 1g |
¥136.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD228183-5g |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 95% | 5g |
¥486.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD228183-10g |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 95% | 10g |
¥826.0 | 2022-03-01 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD228183-25g |
Methyl 2-bromo-4-(trifluoromethyl)benzoate |
1214334-90-3 | 95% | 25g |
¥1649.0 | 2022-03-01 |
Methyl 2-bromo-4-(trifluoromethyl)benzoate Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
1214334-90-3 (Methyl 2-bromo-4-(trifluoromethyl)benzoate) Related Products
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