Benzoic acid, 3-nitro-,ethyl ester
Benzoic acid, 3-nitro-,ethyl ester structure
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Common Name | Benzoic acid, 3-nitro-,ethyl ester | ||
|---|---|---|---|---|
| CAS Number | 618-98-4 | Molecular Weight | 195.17200 | |
| Density | 1.253g/cm3 | Boiling Point | 297-298°C | |
| Molecular Formula | C9H9NO4 | Melting Point | 41 °C | |
| MSDS | N/A | Flash Point | 297-298°C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 3-nitrobenzoate |
|---|---|
| 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 | 1.253g/cm3 |
|---|---|
| Boiling Point | 297-298°C |
| Melting Point | 41 °C |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.17200 |
| Flash Point | 297-298°C |
| Exact Mass | 195.05300 |
| PSA | 72.12000 |
| LogP | 2.29470 |
| Index of Refraction | 1.544 |
| InChIKey | MKBIJCPQTPFQKQ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cccc([N+](=O)[O-])c1 |
| Stability | Stable. Incompatible with strong oxidizing agents. |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | S22-S24/25 |
|---|---|
| HS Code | 2916399090 |
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 9 | |
|---|---|
| DownStream 10 | |
CAS#:585-79-5
CAS#:1906-57-6
CAS#:64-17-5
CAS#:99-61-6
CAS#:23229-30-3
CAS#:93-89-0
CAS#:121-92-6
CAS#:33499-33-1
CAS#:13331-27-6
CAS#:105686-75-7
CAS#:33745-47-0
CAS#:645-09-0
CAS#:618-71-3
CAS#:582-33-2
CAS#:618-94-0
CAS#:106-93-4
CAS#:21667-64-1
CAS#:7335-34-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| ethyl-3-nitrobenzoate |
| m-nitro-carboethoxy-benzene |
| Ethyl-m-nitrobenzoate |
| EINECS 210-574-6 |
| MFCD00014702 |
| 3-Nitro-benzoesaeure-aethylester |
| Benzoic acid,3-nitro-,ethyl ester |
| m-Nitrobenzoic acid,ethyl ester |
| 3-nitro-benzoic acid ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of ethyl 3-nitrobenzoate? |
| A: InChIKey of ethyl 3-nitrobenzoate is MKBIJCPQTPFQKQ-UHFFFAOYSA-N. |
| Q: What is the molecular weight of ethyl 3-nitrobenzoate? |
| A: Molecular weight of ethyl 3-nitrobenzoate is 195.17200. |
| Q: What are the upstream materials of ethyl 3-nitrobenzoate? |
| A: Related upstream materials(CAS) of ethyl 3-nitrobenzoate: 585-79-5;1906-57-6;64-17-5;99-61-6;23229-30-3;93-89-0;121-92-6;33499-33-1;13331-27-6. |
| Q: What is the safety information for ethyl 3-nitrobenzoate? |
| A: Safety information for ethyl 3-nitrobenzoate: S22-S24/25. |
| Q: What English synonyms does ethyl 3-nitrobenzoate have? |
| A: English synonyms of ethyl 3-nitrobenzoate: ethyl-3-nitrobenzoate, m-nitro-carboethoxy-benzene, Ethyl-m-nitrobenzoate, EINECS 210-574-6, MFCD00014702, 3-Nitro-benzoesaeure-aethylester, Benzoic acid,3-nitro-,ethyl ester, m-Nitrobenzoic acid,ethyl ester, 3-nitro-benzoic acid ethyl ester. |
| Q: What are the downstream products of ethyl 3-nitrobenzoate? |
| A: Related downstream products(CAS) of ethyl 3-nitrobenzoate: 105686-75-7;33745-47-0;645-09-0;618-71-3;582-33-2;618-94-0;106-93-4;121-92-6;21667-64-1;7335-34-4. |
| Q: What is the CAS number of ethyl 3-nitrobenzoate? |
| A: CAS number of ethyl 3-nitrobenzoate is 618-98-4. |
| Q: What is the boiling point of ethyl 3-nitrobenzoate? |
| A: Boiling point of ethyl 3-nitrobenzoate is 297-298°C. |
| Q: What is the LogP of ethyl 3-nitrobenzoate? |
| A: LogP of ethyl 3-nitrobenzoate is 2.29470. |
| Q: What is the English name of ethyl 3-nitrobenzoate? |
| A: The English name of ethyl 3-nitrobenzoate is ethyl 3-nitrobenzoate. |
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. |