Cas no 86400-57-9 (Ethyl 3-bromo-4-cyanobenzoate)
Ethyl 3-bromo-4-cyanobenzoate is a versatile benzoate ester derivative featuring both bromo and cyano functional groups, making it a valuable intermediate in organic synthesis. The bromo substituent allows for further functionalization via cross-coupling reactions, while the electron-withdrawing cyano group enhances reactivity in nucleophilic substitution or cyclization processes. Its ester group provides additional flexibility for hydrolysis or transesterification. This compound is particularly useful in pharmaceutical and agrochemical research, where its structural motifs are employed in constructing complex molecules. High purity and stability under standard conditions ensure reliable performance in synthetic applications. Its well-defined reactivity profile makes it a preferred choice for targeted derivatization.
Ethyl 3-bromo-4-cyanobenzoate structure
Product Name:Ethyl 3-bromo-4-cyanobenzoate
CAS No:86400-57-9
MF:C9H8BrNO4
MW:274.068121910095
CID:1119496
PubChem ID:13077446
Update Time:2025-06-06
Ethyl 3-bromo-4-cyanobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-bromo-4-cyanobenzoate
- 86400-57-9
- MFCD12406859
- ethyl 3-bromo-4-nitrobenzoate
- BS-51882
- 3-Bromo-4-nitro-benzoic acid ethyl ester, 97%
- SCHEMBL16445513
- 3-Bromo-4-nitro-benzoic acid ethyl ester
-
- Inchi： 1S/C9H8BrNO4/c1-2-15-9(12)6-3-4-8(11(13)14)7(10)5-6/h3-5H,2H2,1H3
- InChI Key： FBZRWCVSAQPVIJ-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(C(=O)OCC)=C1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 272.96367g/mol
- Monoisotopic Mass: 272.96367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 253
- 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: 3.2
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.594±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 108 oC (methanol )
- Solubility: Very slightly soluble (0.13 g/l) (25 o C),
Ethyl 3-bromo-4-cyanobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1234142-5g |
3-Bromo-4-nitro-benzoic acid ethyl ester |
86400-57-9 | 97% | 5g |
$145 | 2024-06-05 | |
| eNovation Chemicals LLC | Y1234142-25g |
3-Bromo-4-nitro-benzoic acid ethyl ester |
86400-57-9 | 97% | 25g |
$360 | 2024-06-05 | |
| abcr | AB570999-1g |
3-Bromo-4-nitro-benzoic acid ethyl ester, 97%; . |
86400-57-9 | 97% | 1g |
€98.30 | 2024-08-02 | |
| abcr | AB570999-5g |
3-Bromo-4-nitro-benzoic acid ethyl ester, 97%; . |
86400-57-9 | 97% | 5g |
€165.30 | 2024-08-02 | |
| abcr | AB570999-25g |
3-Bromo-4-nitro-benzoic acid ethyl ester, 97%; . |
86400-57-9 | 97% | 25g |
€452.90 | 2024-08-02 | |
| Ambeed | A940833-1g |
Ethyl 3-bromo-4-nitrobenzoate |
86400-57-9 | 97% | 1g |
$29.0 | 2025-04-16 | |
| Ambeed | A940833-5g |
Ethyl 3-bromo-4-nitrobenzoate |
86400-57-9 | 97% | 5g |
$75.0 | 2025-04-16 | |
| Ambeed | A940833-25g |
Ethyl 3-bromo-4-nitrobenzoate |
86400-57-9 | 97% | 25g |
$287.0 | 2025-04-16 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1725517-100mg |
Ethyl 3-bromo-4-nitrobenzoate |
86400-57-9 | 98% | 100mg |
￥52.00 | 2024-04-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1725517-250mg |
Ethyl 3-bromo-4-nitrobenzoate |
86400-57-9 | 98% | 250mg |
￥93.00 | 2024-04-28 |
Ethyl 3-bromo-4-cyanobenzoate Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
86400-57-9 (Ethyl 3-bromo-4-cyanobenzoate) Related Products
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