Cas no 16588-16-2 (Ethyl 4-chloro-3-nitrobenzoate)
Ethyl 4-chloro-3-nitrobenzoate is a versatile aromatic ester widely used in organic synthesis and pharmaceutical intermediates. Its key advantages include high purity and stability, making it suitable for precise reactions such as nucleophilic substitutions and reductions. The presence of both chloro and nitro functional groups on the benzoate backbone allows for selective modifications, enabling the synthesis of complex molecules. This compound is particularly valuable in medicinal chemistry for constructing pharmacophores. Its well-defined reactivity profile ensures consistent performance in multi-step synthetic routes. Ethyl 4-chloro-3-nitrobenzoate is typically supplied with rigorous quality control to meet research and industrial standards.
16588-16-2 structure
Product Name:Ethyl 4-chloro-3-nitrobenzoate
CAS No:16588-16-2
MF:C9H8ClNO4
MW:229.617121696472
MDL:MFCD00219621
CID:50459
PubChem ID:1268247
Update Time:2025-10-29
Ethyl 4-chloro-3-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-chloro-3-nitrobenzoate
- -ETHYL 4-CHLORO-3-NITROBENZOATE
- RARECHEM AL BI 0170
- 4-CHLORO-3-NITROBENZOIC ACID ETHYL ESTER
- 4-Chloro-3-nitro-benzoic acid ethyl ester
- 4-CHLORO-3-NITROBENZOATE
- Ethyl 4-chloro-3-nitrobenzoate,98%
- Benzoic acid, 4-chloro-3-nitro-, ethyl ester
- ethyl 4-chloranyl-3-nitro-benzoate
- Ethyl4-chloro-3-nitrobenzoate
- ethyl 4-chloro-3-nitro-benzoate
- Ethyl-4-chloro-3-nitro-benzoate
- BLNLZRQIUGDTAO-UHFFFAOYSA-N
- 8428AA
- ethyl-4-CHLORO-3-NITROBENZOATE
- STL168509
- SBB058469
- B
- FT-0626077
- AMY32227
- DTXSID00361481
- 16588-16-2
- AS-66123
- A810676
- A810677
- MFCD00219621
- AKOS005366925
- SY041187
- AS-710/43364252
- SCHEMBL260606
- AC-9048
- AB9245
- DB-043633
- BBL013768
- ALBB-036622
-
- MDL： MFCD00219621
- Inchi： 1S/C9H8ClNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
- InChI Key： BLNLZRQIUGDTAO-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C(=O)OCC)=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 229.01400
- Monoisotopic Mass: 229.014
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.5
- Topological Polar Surface Area: 72.1
Experimental Properties
- Color/Form: Not determined
- Density: 1.369
- Melting Point: 57-61 °C
- Boiling Point: 326.2℃ at 760 mmHg
- Flash Point: 151.1±22.3 °C
- Refractive Index: 1.558
- PSA: 72.12000
- LogP: 2.94810
- Solubility: Not determined
Ethyl 4-chloro-3-nitrobenzoate Security Information
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazard Category Code： 36/37/38
- Safety Instruction： S37/39-S26
-
Hazardous Material Identification：
- Safety Term：S26;S37/39
- Risk Phrases：R36/37/38
- Storage Condition：Sealed in dry,Room Temperature
Ethyl 4-chloro-3-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 4-chloro-3-nitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E191391-100g |
Ethyl 4-chloro-3-nitrobenzoate |
16588-16-2 | 98% | 100g |
￥464.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E191391-1g |
Ethyl 4-chloro-3-nitrobenzoate |
16588-16-2 | 98% | 1g |
￥32.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E191391-25g |
Ethyl 4-chloro-3-nitrobenzoate |
16588-16-2 | 98% | 25g |
￥145.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E191391-5g |
Ethyl 4-chloro-3-nitrobenzoate |
16588-16-2 | 98% | 5g |
￥34.90 | 2023-09-03 | |
| Fluorochem | 224031-5g |
Ethyl 4-chloro-3-nitrobenzoate |
16588-16-2 | 95% | 5g |
￡13.00 | 2022-02-28 | |
| Fluorochem | 224031-10g |
Ethyl 4-chloro-3-nitrobenzoate |
16588-16-2 | 95% | 10g |
￡20.00 | 2022-02-28 | |
| Fluorochem | 224031-25g |
Ethyl 4-chloro-3-nitrobenzoate |
16588-16-2 | 95% | 25g |
￡39.00 | 2022-02-28 | |
| Fluorochem | 224031-100g |
Ethyl 4-chloro-3-nitrobenzoate |
16588-16-2 | 95% | 100g |
￡77.00 | 2022-02-28 | |
| Matrix Scientific | 130500-1g |
4-Chloro-3-nitro-benzoic acid ethyl ester, 95%+ |
16588-16-2 | 95% | 1g |
$84.00 | 2023-09-10 | |
| Matrix Scientific | 130500-5g |
4-Chloro-3-nitro-benzoic acid ethyl ester, 95%+ |
16588-16-2 | 95% | 5g |
$152.00 | 2023-09-10 |
Ethyl 4-chloro-3-nitrobenzoate Related Literature
-
N. Shruthi,Boja Poojary,Vasantha Kumar,Mumtaz Mohammed Hussain,Vaishali M. Rai,Vinitha R. Pai,Mahima Bhat,B. C. Revannasiddappa RSC Adv. 2016 6 8303
-
Nikil Purushotham,Mrityunjay Singh,Bugga Paramesha,Vasantha Kumar,Sharad Wakode,Sanjay K. Banerjee,Boja Poojary,Shailendra Asthana RSC Adv. 2022 12 3809
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5. Reaction of benzofurazan N-oxide with secondary aliphatic amines; preparation of NN-dialkyl-N′-(o-nitrophenyl)hydrazinesDavid W. S. Latham,Otto Meth-Cohn,Hans Suschitzky J. Chem. Soc. Perkin Trans. 1 1976 2216
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