Ethyl 4-nitrobenzoate
Ethyl 4-nitrobenzoate structure
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Common Name | Ethyl 4-nitrobenzoate | ||
|---|---|---|---|---|
| CAS Number | 99-77-4 | Molecular Weight | 195.172 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 315.0±25.0 °C at 760 mmHg | |
| Molecular Formula | C9H9NO4 | Melting Point | 55-59 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 148.2±25.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl p-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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 315.0±25.0 °C at 760 mmHg |
| Melting Point | 55-59 °C(lit.) |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.172 |
| Flash Point | 148.2±25.2 °C |
| Exact Mass | 195.053162 |
| PSA | 72.12000 |
| LogP | 2.33 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.545 |
| InChIKey | PHWSCBWNPZDYRI-UHFFFAOYSA-N |
| SMILES | CCOC(=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 covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R33 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DH5600000 |
| 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 10 | |
|---|---|
| DownStream 10 | |
CAS#:64-17-5
CAS#:555-16-8
CAS#:62-23-7
CAS#:1906-57-6
CAS#:586-78-7
CAS#:636-98-6
CAS#:201230-82-2
CAS#:80-40-0
CAS#:94-09-7
CAS#:19213-72-0
CAS#:10129-07-4
CAS#:50677-30-0
CAS#:39695-71-1
CAS#:39695-70-0
CAS#:30806-83-8
CAS#:94-32-6
CAS#:94-24-6
CAS#:3847-57-2
CAS#:456-22-4
CAS#:451-46-7This 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 lists relevant public references with title, journal and publication metadata for this compound.
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More methemoglobin is produced by benzocaine treatment than lidocaine treatment in human in vitro systems.
Regul Toxicol Pharmacol 70(1) , 182-8, (2014) The clinical use of local anesthetic products to anesthetize mucous membranes has been associated with methemoglobinemia (MetHba), a serious condition in which the blood has reduced capacity to carry ... |
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
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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
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Name: Toxicity in po dosed Rattus norvegicus (rat)
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3059484
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ethyl para-nitrobenzoate |
| 4-Nitrobenzoic acid ethyl ester |
| Benzoic acid, 4-nitro-, ethyl ester |
| ethyl p-nitrobenzoate |
| MFCD00007351 |
| ethyl 4-nitrobenzoate |
| EINECS 202-786-2 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Ethyl p-nitrobenzoate? |
| A: SMILES notation of Ethyl p-nitrobenzoate is CCOC(=O)c1ccc([N+](=O)[O-])cc1. |
| Q: What is the LogP of Ethyl p-nitrobenzoate? |
| A: LogP of Ethyl p-nitrobenzoate is 2.33. |
| Q: What is the molecular weight of Ethyl p-nitrobenzoate? |
| A: Molecular weight of Ethyl p-nitrobenzoate is 195.172. |
| Q: What are the downstream products of Ethyl p-nitrobenzoate? |
| A: Related downstream products(CAS) of Ethyl p-nitrobenzoate: 10129-07-4;50677-30-0;39695-71-1;39695-70-0;30806-83-8;94-32-6;94-24-6;3847-57-2;456-22-4;451-46-7. |
| Q: What is the polar surface area (PSA) of Ethyl p-nitrobenzoate? |
| A: Polar surface area (PSA) of Ethyl p-nitrobenzoate is 72.12000. |
| Q: What is the InChIKey of Ethyl p-nitrobenzoate? |
| A: InChIKey of Ethyl p-nitrobenzoate is PHWSCBWNPZDYRI-UHFFFAOYSA-N. |
| Q: What English synonyms does Ethyl p-nitrobenzoate have? |
| A: English synonyms of Ethyl p-nitrobenzoate: Ethyl para-nitrobenzoate, 4-Nitrobenzoic acid ethyl ester, Benzoic acid, 4-nitro-, ethyl ester, ethyl p-nitrobenzoate, MFCD00007351, ethyl 4-nitrobenzoate, EINECS 202-786-2. |
| Q: What is the boiling point of Ethyl p-nitrobenzoate? |
| A: Boiling point of Ethyl p-nitrobenzoate is 315.0±25.0 °C at 760 mmHg. |
| Q: What is the melting point of Ethyl p-nitrobenzoate? |
| A: Melting point of Ethyl p-nitrobenzoate is 55-59 °C(lit.). |
| Q: What is the CAS number of Ethyl p-nitrobenzoate? |
| A: CAS number of Ethyl p-nitrobenzoate is 99-77-4. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: Ethyl 4-nitrobenzoate
- Price: Check
- Purity: 99.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: Ethyl p-nitrobenzoate
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: Ethyl 4-nitrobenzoate
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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