Cas no 528872-23-3 (ethyl 4-bromo-2-nitrobenzoate)
Ethyl 4-bromo-2-nitrobenzoate is a brominated and nitrated aromatic ester commonly used as an intermediate in organic synthesis. Its key advantages include its reactivity in electrophilic aromatic substitution and coupling reactions, making it valuable for constructing complex molecules in pharmaceutical and agrochemical research. The presence of both bromo and nitro substituents enhances its utility in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig amination, enabling precise functionalization. The ethyl ester group improves solubility in organic solvents, facilitating handling in synthetic workflows. This compound is particularly useful for derivatization in medicinal chemistry, where it serves as a precursor for bioactive compounds. Storage under inert conditions is recommended to maintain stability.
ethyl 4-bromo-2-nitrobenzoate structure
Product Name:ethyl 4-bromo-2-nitrobenzoate
CAS No:528872-23-3
MF:C9H8BrNO4
MW:274.068121910095
CID:1579983
PubChem ID:46311279
Update Time:2025-05-28
ethyl 4-bromo-2-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- benzoic acid, 4-bromo-2-nitro-, ethyl ester
- LogP
- ethyl 4-bromo-2-nitrobenzoate
- DA-33904
- MFCD12031868
- ethyl4-bromo-2-nitrobenzoate
- 528872-23-3
- AKOS025128637
- EN300-1272874
- CS-0308681
- 4-Bromo-2-nitro-benzoic acid ethyl ester
- SCHEMBL6350616
-
- Inchi： 1S/C9H8BrNO4/c1-2-15-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2H2,1H3
- InChI Key： HBBNMJSSYTXTPH-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C(=O)OCC)=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 272.96364
- Monoisotopic Mass: 272.96367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- 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: 2.8
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
ethyl 4-bromo-2-nitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019104327-250mg |
Ethyl 4-bromo-2-nitrobenzoate |
528872-23-3 | 95% | 250mg |
$192.24 | 2023-09-01 | |
| Alichem | A019104327-1g |
Ethyl 4-bromo-2-nitrobenzoate |
528872-23-3 | 95% | 1g |
$440.55 | 2023-09-01 | |
| Alichem | A019104327-5g |
Ethyl 4-bromo-2-nitrobenzoate |
528872-23-3 | 95% | 5g |
$1401.75 | 2023-09-01 | |
| eNovation Chemicals LLC | Y1254093-250mg |
Benzoic acid, 4-bromo-2-nitro-, ethyl ester |
528872-23-3 | 95% | 250mg |
$285 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1254093-1g |
Benzoic acid, 4-bromo-2-nitro-, ethyl ester |
528872-23-3 | 95% | 1g |
$650 | 2024-06-06 | |
| Enamine | EN300-1272874-0.05g |
ethyl 4-bromo-2-nitrobenzoate |
528872-23-3 | 95% | 0.05g |
$104.0 | 2023-06-08 | |
| Enamine | EN300-1272874-0.1g |
ethyl 4-bromo-2-nitrobenzoate |
528872-23-3 | 95% | 0.1g |
$154.0 | 2023-06-08 | |
| Enamine | EN300-1272874-0.25g |
ethyl 4-bromo-2-nitrobenzoate |
528872-23-3 | 95% | 0.25g |
$220.0 | 2023-06-08 | |
| Enamine | EN300-1272874-0.5g |
ethyl 4-bromo-2-nitrobenzoate |
528872-23-3 | 95% | 0.5g |
$348.0 | 2023-06-08 | |
| Enamine | EN300-1272874-1.0g |
ethyl 4-bromo-2-nitrobenzoate |
528872-23-3 | 95% | 1g |
$445.0 | 2023-06-08 |
ethyl 4-bromo-2-nitrobenzoate Related Literature
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
-
Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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