Cas no 690260-94-7 (Ethyl 3-bromo-5-nitrobenzoate)
Ethyl 3-bromo-5-nitrobenzoate is a brominated and nitrated aromatic ester with the molecular formula C?H?BrNO?. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both bromo and nitro substituents on the benzoate framework enhances its reactivity, facilitating further functionalization via cross-coupling, nucleophilic substitution, or reduction reactions. Its ethyl ester group improves solubility in organic solvents, aiding in purification and handling. The compound is characterized by high purity and stability under standard storage conditions, making it a reliable building block for research and industrial applications requiring precise aromatic modifications.
Ethyl 3-bromo-5-nitrobenzoate structure
Product Name:Ethyl 3-bromo-5-nitrobenzoate
CAS No:690260-94-7
MF:C9H8BrNO4
MW:274.068121910095
MDL:MFCD09258760
CID:501670
PubChem ID:26966738
Update Time:2025-10-14
Ethyl 3-bromo-5-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-bromo-5-nitrobenzoate
- Benzoicacid, 3-bromo-5-nitro-, ethyl ester
- Benzoic acid, 3-bromo-5-nitro-, ethyl ester
- PubChem18784
- KSC628S1R
- ethyl 5-bromo-3-nitrobenzoate
- PUBVWGDKFHIPRR-UHFFFAOYSA-N
- CL8512
- SY007496
- BC004410
- 3-bromo-5-nitro-benzoic acid ethyl ester
- AB0026263
- ST24030557
- W7889
- Benzoicacid, 3-bromo-5-nitro-, e
- DTXSID70650319
- CS-0151783
- 690260-94-7
- MFCD09258760
- SCHEMBL5095881
- AKOS005264202
- DS-1281
- ETHYL3-BROMO-5-NITROBENZOATE
- PS-4943
- FT-0768749
- A866934
- DB-074090
-
- MDL： MFCD09258760
- Inchi： 1S/C9H8BrNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3
- InChI Key： PUBVWGDKFHIPRR-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C(=O)OCC)C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 272.96400
- 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
- Topological Polar Surface Area: 72.1
Experimental Properties
- Color/Form: No data available
- Density: 1.594
- Melting Point: No data available
- Boiling Point: 338.7℃ at 760 mmHg
- Flash Point: 158.6℃
- Refractive Index: 1.576
- PSA: 72.12000
- LogP: 3.05720
- Vapor Pressure: No data available
Ethyl 3-bromo-5-nitrobenzoate Security Information
- Signal Word：warning
- Hazard Statement： Irritant
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Hazardous Material Identification：
- Storage Condition：Room temperature storage
Ethyl 3-bromo-5-nitrobenzoate 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 3-bromo-5-nitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 079435-250mg |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 95% | 250mg |
￡15.00 | 2022-03-01 | |
| Fluorochem | 079435-1g |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 95% | 1g |
￡29.00 | 2022-03-01 | |
| Fluorochem | 079435-5g |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 95% | 5g |
￡104.00 | 2022-03-01 | |
| Fluorochem | 079435-25g |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 95% | 25g |
￡365.00 | 2022-03-01 | |
| Alichem | A019096592-10g |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 98% | 10g |
$998.00 | 2023-09-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | E841890-1g |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 98% | 1g |
305.10 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FC968-50mg |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 98% | 50mg |
55.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FC968-250mg |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 98% | 250mg |
186CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FC968-1g |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 98% | 1g |
394.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FC968-200mg |
Ethyl 3-bromo-5-nitrobenzoate |
690260-94-7 | 98% | 200mg |
113.0CNY | 2021-08-05 |
Ethyl 3-bromo-5-nitrobenzoate Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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