Ethyl 3-(4-nitrophenyl)-3-oxopropanoate
Ethyl 3-(4-nitrophenyl)-3-oxopropanoate structure
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Common Name | Ethyl 3-(4-nitrophenyl)-3-oxopropanoate | ||
|---|---|---|---|---|
| CAS Number | 838-57-3 | Molecular Weight | 237.209 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 344.7±17.0 °C at 760 mmHg | |
| Molecular Formula | C11H11NO5 | Melting Point | 67-71 °C | |
| MSDS | Chinese USA | Flash Point | 149.6±22.9 °C | |
Summary: Ethyl 4-nitrobenzoylacetate (CAS number: 838-57-3, molecular formula: C11H11NO5, molecular weight: 237.209), a yellow crystalline powder, with a melting point of 67-71 °C, boiling point of 344.7±17.0 °C, and density of 1.3±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 4-nitrobenzoylacetate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 344.7±17.0 °C at 760 mmHg |
| Melting Point | 67-71 °C |
| Molecular Formula | C11H11NO5 |
| Molecular Weight | 237.209 |
| Flash Point | 149.6±22.9 °C |
| Exact Mass | 237.063721 |
| PSA | 89.19000 |
| LogP | 1.63 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.542 |
| InChIKey | NGRXSVFCLHVGKU-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:623-73-4
CAS#:555-16-8
CAS#:99-77-4
CAS#:141-78-6
CAS#:100-19-6
CAS#:105-58-8
CAS#:6148-64-7
CAS#:82102-37-2
CAS#:586-78-7
CAS#:141-97-9
CAS#:106098-23-1
CAS#:142977-79-5
CAS#:188182-64-1
CAS#:99-81-0
CAS#:35487-11-7
CAS#:34320-83-7
CAS#:15118-49-7
CAS#:134250-58-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00007357 |
| EINECS 212-656-7 |
| Benzenepropanoic acid, 4-nitro-β-oxo-, ethyl ester |
| Ethyl 3-(4-nitrophenyl)-3-oxopropanoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of ethyl 4-nitrobenzoylacetate? |
| A: LogP of ethyl 4-nitrobenzoylacetate is 1.63. |
| Q: What is the molecular weight of ethyl 4-nitrobenzoylacetate? |
| A: Molecular weight of ethyl 4-nitrobenzoylacetate is 237.209. |
| Q: What is the SMILES notation of ethyl 4-nitrobenzoylacetate? |
| A: SMILES notation of ethyl 4-nitrobenzoylacetate is CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1. |
| Q: What are the upstream materials of ethyl 4-nitrobenzoylacetate? |
| A: Related upstream materials(CAS) of ethyl 4-nitrobenzoylacetate: 623-73-4;555-16-8;99-77-4;141-78-6;100-19-6;105-58-8;6148-64-7;82102-37-2;586-78-7;141-97-9. |
| Q: What are the downstream products of ethyl 4-nitrobenzoylacetate? |
| A: Related downstream products(CAS) of ethyl 4-nitrobenzoylacetate: 106098-23-1;142977-79-5;188182-64-1;100-19-6;99-77-4;99-81-0;35487-11-7;34320-83-7;15118-49-7;134250-58-1. |
| Q: What is the boiling point of ethyl 4-nitrobenzoylacetate? |
| A: Boiling point of ethyl 4-nitrobenzoylacetate is 344.7±17.0 °C at 760 mmHg. |
| Q: What English synonyms does ethyl 4-nitrobenzoylacetate have? |
| A: English synonyms of ethyl 4-nitrobenzoylacetate: MFCD00007357, EINECS 212-656-7, Benzenepropanoic acid, 4-nitro-β-oxo-, ethyl ester, Ethyl 3-(4-nitrophenyl)-3-oxopropanoate. |
| Q: What is the CAS number of ethyl 4-nitrobenzoylacetate? |
| A: CAS number of ethyl 4-nitrobenzoylacetate is 838-57-3. |
| Q: What is the molecular formula of ethyl 4-nitrobenzoylacetate? |
| A: Molecular formula of ethyl 4-nitrobenzoylacetate is C11H11NO5. |
| Q: What is the polar surface area (PSA) of ethyl 4-nitrobenzoylacetate? |
| A: Polar surface area (PSA) of ethyl 4-nitrobenzoylacetate is 89.19000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |