Cas no 450412-27-8 (Ethyl 5-bromo-2-iodobenzoate)
Ethyl 5-bromo-2-iodobenzoate is a halogenated benzoate ester with significant utility in synthetic organic chemistry. The compound features both bromine and iodine substituents on the aromatic ring, making it a versatile intermediate for cross-coupling reactions such as Suzuki, Stille, or Negishi couplings. The ethyl ester group enhances solubility in organic solvents, facilitating further functionalization. Its well-defined reactivity profile allows for selective modifications, enabling the synthesis of complex aromatic derivatives. This compound is particularly valuable in pharmaceutical and agrochemical research, where halogenated aromatics serve as key building blocks. High purity and stability under standard conditions ensure reliable performance in demanding synthetic applications.
Ethyl 5-bromo-2-iodobenzoate structure
Product Name:Ethyl 5-bromo-2-iodobenzoate
CAS No:450412-27-8
MF:C9H8BrIO2
MW:354.967094421387
MDL:MFCD12025359
CID:1516766
PubChem ID:10338259
Update Time:2025-06-07
Ethyl 5-bromo-2-iodobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-bromo-2-iodobenzoate
- 4-bromo-1-iodobenzoic acid ethyl ester
- 1-Indanone, 4-bromo-
- 4-bromoindan-1-one
- 4-bromo-1-indanone
- 4-BROMO-2,3-DIHYDRO-1H-INDEN-1-ONE
- 4-Bromohydrindone-1
- ethyl 2-iodo-5-bromobenzoate
- 4-Bromo-indan-1-one
- 4-bromoindanone
- 5-bromo-2-iodo-benzoic acid ethyl ester
- 4-Brom-indan-1-on
- 3-bromo-6-iodobenzoic acid ethyl ester
- 4-Brom-hydrindon-(1)
- SBB066977
- 1-Indanone,4-bromo
- 450412-27-8
- DB-265005
- Benzoic acid, 5-bromo-2-iodo-, ethyl ester
- SCHEMBL1016603
- JWUQSSZXGVRFDZ-UHFFFAOYSA-N
- A854417
- AS-43129
- Ethyl5-Bromo-2-iodobenzoate
- CS-0094420
- AKOS017265510
- MFCD12025359
-
- MDL： MFCD12025359
- Inchi： 1S/C9H8BrIO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
- InChI Key： JWUQSSZXGVRFDZ-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1C(=O)OCC)Br
Computed Properties
- Exact Mass: 353.87500
- Monoisotopic Mass: 353.87524g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 187
- 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: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.23040
Ethyl 5-bromo-2-iodobenzoate 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 5-bromo-2-iodobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019100751-250mg |
Ethyl 5-bromo-2-iodobenzoate |
450412-27-8 | 95% | 250mg |
$267.50 | 2023-09-01 | |
| Alichem | A019100751-1g |
Ethyl 5-bromo-2-iodobenzoate |
450412-27-8 | 95% | 1g |
$655.20 | 2023-09-01 | |
| abcr | AB450106-1 g |
Ethyl 5-bromo-2-iodobenzoate; . |
450412-27-8 | 1g |
€1,338.30 | 2023-04-22 | ||
| Fluorochem | 038709-1g |
Ethyl 5-Bromo-2-iodobenzoate |
450412-27-8 | 95% | 1g |
￡352.00 | 2022-03-01 | |
| Fluorochem | 038709-5g |
Ethyl 5-Bromo-2-iodobenzoate |
450412-27-8 | 95% | 5g |
￡1055.00 | 2022-03-01 | |
| eNovation Chemicals LLC | Y1222697-5g |
Ethyl 5-bromo-2-iodobenzoate |
450412-27-8 | 95% | 5g |
$700 | 2024-06-03 | |
| abcr | AB450106-1g |
Ethyl 5-bromo-2-iodobenzoate; . |
450412-27-8 | 1g |
€1338.30 | 2025-02-15 | ||
| eNovation Chemicals LLC | Y1222697-5g |
ethyl 5-bromo-2-iodobenzoate |
450412-27-8 | 95% | 5g |
$300 | 2025-02-28 | |
| 1PlusChem | 1P00DM2G-100mg |
Ethyl 5-bromo-2-iodobenzoate |
450412-27-8 | 97% | 100mg |
$8.00 | 2025-02-26 | |
| 1PlusChem | 1P00DM2G-250mg |
Ethyl 5-bromo-2-iodobenzoate |
450412-27-8 | 97% | 250mg |
$16.00 | 2025-02-26 |
Ethyl 5-bromo-2-iodobenzoate Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
450412-27-8 (Ethyl 5-bromo-2-iodobenzoate) Related Products
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- 1261840-81-6(Methyl 2-bromo-6-iodobenzoate)
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