Methyl 3-amino-4-methyl-5-nitrobenzoate
Methyl 3-amino-4-methyl-5-nitrobenzoate structure
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Common Name | Methyl 3-amino-4-methyl-5-nitrobenzoate | ||
|---|---|---|---|---|
| CAS Number | 72922-60-2 | Molecular Weight | 210.187 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 393.0±37.0 °C at 760 mmHg | |
| Molecular Formula | C9H10N2O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 191.5±26.5 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 3-amino-4-methyl-5-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 | 393.0±37.0 °C at 760 mmHg |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.187 |
| Flash Point | 191.5±26.5 °C |
| Exact Mass | 210.064056 |
| PSA | 98.14000 |
| LogP | 1.80 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.596 |
| InChIKey | NQJNEBQTJXTNJF-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(N)c(C)c([N+](=O)[O-])c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2922499990 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Methyl 3-amino-... CAS#:72922-60-2 |
| Literature: GLAXO GROUP LIMITED Patent: WO2004/50619 A1, 2004 ; Location in patent: Page 55 ; WO 2004/050619 A1 |
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Methyl 3-amino-... CAS#:72922-60-2 |
| Literature: Mochizuki, Akiyoshi; Nagata, Tsutomu; Kanno, Hideyuki; Takano, Daisuke; Kishida, Masamichi; Suzuki, Makoto; Ohta, Toshiharu Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 24 p. 7337 - 7343 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 5 | |
CAS#:1057652-84-2
CAS#:72922-61-3
CAS#:125229-13-2
CAS#:885519-33-5
CAS#:54591-64-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2922499990 |
|---|---|
| Summary | HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzoic acid, 3-amino-4-methyl-5-nitro-, methyl ester |
| Methyl-3-amino-4-methyl-5-nitrobenzoat |
| Methyl-3-amino-5-nitro-4-methyl benzoate |
| Methyl 3-amino-4-methyl-5-nitro-benzoate |
| Methyl 3-amino-4-methyl-5-nitrobenzoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: Related downstream products(CAS) of methyl 3-amino-4-methyl-5-nitrobenzoate: 1057652-84-2;72922-61-3;125229-13-2;885519-33-5;54591-64-9. |
| Q: What is the InChIKey of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: InChIKey of methyl 3-amino-4-methyl-5-nitrobenzoate is NQJNEBQTJXTNJF-UHFFFAOYSA-N. |
| Q: What is the molecular formula of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: Molecular formula of methyl 3-amino-4-methyl-5-nitrobenzoate is C9H10N2O4. |
| Q: What is the CAS number of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: CAS number of methyl 3-amino-4-methyl-5-nitrobenzoate is 72922-60-2. |
| Q: What is the English name of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: The English name of methyl 3-amino-4-methyl-5-nitrobenzoate is methyl 3-amino-4-methyl-5-nitrobenzoate. |
| Q: What is the SMILES notation of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: SMILES notation of methyl 3-amino-4-methyl-5-nitrobenzoate is COC(=O)c1cc(N)c(C)c([N+](=O)[O-])c1. |
| Q: What is the LogP of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: LogP of methyl 3-amino-4-methyl-5-nitrobenzoate is 1.80. |
| Q: What are the upstream materials of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: Related upstream materials(CAS) of methyl 3-amino-4-methyl-5-nitrobenzoate: 49592-71-4;16533-71-4. |
| Q: What is the molecular weight of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: Molecular weight of methyl 3-amino-4-methyl-5-nitrobenzoate is 210.187. |
| Q: What is the polar surface area (PSA) of methyl 3-amino-4-methyl-5-nitrobenzoate? |
| A: Polar surface area (PSA) of methyl 3-amino-4-methyl-5-nitrobenzoate is 98.14000. |
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. |