2-Nitro-5-methylbenzoic acid
2-Nitro-5-methylbenzoic acid structure
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Common Name | 2-Nitro-5-methylbenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 3113-72-2 | Molecular Weight | 181.15 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 363.8±30.0 °C at 760 mmHg | |
| Molecular Formula | C8H7NO4 | Melting Point | 134-136 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 165.0±13.0 °C | |
Use of 2-Nitro-5-methylbenzoic acid2-Nitro-5-methylbenzoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Methyl-2-nitrobenzoic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2-Nitro-5-methylbenzoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 363.8±30.0 °C at 760 mmHg |
| Melting Point | 134-136 °C(lit.) |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.15 |
| Flash Point | 165.0±13.0 °C |
| Exact Mass | 181.037506 |
| PSA | 83.12000 |
| LogP | 2.02 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.601 |
| InChIKey | QRRSIFNWHCKMSW-UHFFFAOYSA-N |
| SMILES | Cc1ccc([N+](=O)[O-])c(C(=O)O)c1 |
| Stability | Stable. Incompatible with strong oxidizing agents. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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 | R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| 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 | |
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CAS#:20587-30-8This 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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New preparation of benzo-2, 1, 3-oxadiazoles (benzofurazans). Prokipcak JM and Forte PA.
Can. J. Chem. 48(19) , 3059-3063, (1970)
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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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Methyl-2-nitro-benzoesaeure |
| 2-Nitro-5-methylbenzoic acid |
| 6-Nitro-m-toluic acid |
| EINECS 221-481-5 |
| 6-Nitro-p-toluic acid |
| Benzoic acid,5-methyl-2-nitro |
| m-Toluic acid,6-nitro |
| WNR D1 BVQ |
| MFCD00007368 |
| 3-Methyl-6-nitrobenzoic acid |
| 5-methyl-2-nitro benzoic acid |
| 5-Methyl-2-nitrobenzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 5-Methyl-2-nitrobenzoic acid have? |
| A: English synonyms of 5-Methyl-2-nitrobenzoic acid: 5-Methyl-2-nitro-benzoesaeure, 2-Nitro-5-methylbenzoic acid, 6-Nitro-m-toluic acid, EINECS 221-481-5, 6-Nitro-p-toluic acid, Benzoic acid,5-methyl-2-nitro, m-Toluic acid,6-nitro, WNR D1 BVQ, MFCD00007368, 3-Methyl-6-nitrobenzoic acid, 5-methyl-2-nitro benzoic acid, 5-Methyl-2-nitrobenzoic acid. |
| Q: What is the polar surface area (PSA) of 5-Methyl-2-nitrobenzoic acid? |
| A: Polar surface area (PSA) of 5-Methyl-2-nitrobenzoic acid is 83.12000. |
| Q: What is the SMILES notation of 5-Methyl-2-nitrobenzoic acid? |
| A: SMILES notation of 5-Methyl-2-nitrobenzoic acid is Cc1ccc([N+](=O)[O-])c(C(=O)O)c1. |
| Q: What is the InChIKey of 5-Methyl-2-nitrobenzoic acid? |
| A: InChIKey of 5-Methyl-2-nitrobenzoic acid is QRRSIFNWHCKMSW-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 5-Methyl-2-nitrobenzoic acid? |
| A: Molecular formula of 5-Methyl-2-nitrobenzoic acid is C8H7NO4. |
| Q: What is the LogP of 5-Methyl-2-nitrobenzoic acid? |
| A: LogP of 5-Methyl-2-nitrobenzoic acid is 2.02. |
| Q: What is the melting point of 5-Methyl-2-nitrobenzoic acid? |
| A: Melting point of 5-Methyl-2-nitrobenzoic acid is 134-136 °C(lit.). |
| Q: What are the uses of 5-Methyl-2-nitrobenzoic acid? |
| A: Main uses of 5-Methyl-2-nitrobenzoic acid: 2-Nitro-5-methylbenzoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
| Q: What is the English name of 5-Methyl-2-nitrobenzoic acid? |
| A: The English name of 5-Methyl-2-nitrobenzoic acid is 5-Methyl-2-nitrobenzoic acid. |
| Q: What is the CAS number of 5-Methyl-2-nitrobenzoic acid? |
| A: CAS number of 5-Methyl-2-nitrobenzoic acid is 3113-72-2. |
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: 2-Nitro-5-methylbenzoic acid
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 5-Methyl-2-nitrobenzoic acid
- 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: 2-Nitro-5-methylbenzoic acid
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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