methyl 4-nitro-1H-pyrrole-2-carboxylate
methyl 4-nitro-1H-pyrrole-2-carboxylate structure
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Common Name | methyl 4-nitro-1H-pyrrole-2-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 13138-74-4 | Molecular Weight | 170.12300 | |
| Density | 1.447g/cm3 | Boiling Point | 342.2ºC at 760mmHg | |
| Molecular Formula | C6H6N2O4 | Melting Point | 192-193ºC | |
| MSDS | N/A | Flash Point | 160.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 4-nitro-1H-pyrrole-2-carboxylate |
|---|---|
| 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 | 1.447g/cm3 |
|---|---|
| Boiling Point | 342.2ºC at 760mmHg |
| Melting Point | 192-193ºC |
| Molecular Formula | C6H6N2O4 |
| Molecular Weight | 170.12300 |
| Flash Point | 160.7ºC |
| Exact Mass | 170.03300 |
| PSA | 87.91000 |
| LogP | 1.23270 |
| Vapour Pressure | 7.67E-05mmHg at 25°C |
| Index of Refraction | 1.578 |
| InChIKey | BRZNAATZQZPGBQ-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc([N+](=O)[O-])c[nH]1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
methyl 4-nitro-... CAS#:13138-74-4 |
| Literature: BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda, S.; KOTIAN, Pravin, L.; WU, Minwan Patent: WO2011/150356 A1, 2011 ; Location in patent: Page/Page column 93 ; WO 2011/150356 A1 |
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~98%
methyl 4-nitro-... CAS#:13138-74-4 |
| Literature: BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda S.; KOTIAN, Pravin L.; KUMAR, V. Satish; WU, Minwan; LIN, Tsu-Hsing Patent: WO2011/14817 A1, 2011 ; Location in patent: Page/Page column 104 ; WO 2011/014817 A1 |
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~72%
methyl 4-nitro-... CAS#:13138-74-4 |
| Literature: Hotzel, Christian; Marotto, Annalisa; Pindur, Ulf European Journal of Medicinal Chemistry, 2002 , vol. 37, # 5 p. 367 - 378 |
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methyl 4-nitro-... CAS#:13138-74-4 |
| Literature: US6143901 A1, ; |
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~97%
methyl 4-nitro-... CAS#:13138-74-4 |
| Literature: Lautru, Sylvie; Song, Lijiang; Demange, Luc; Lombes, Thomas; Galons, Herve; Challis, Gregory L.; Pernodet, Jean-Luc Angewandte Chemie - International Edition, 2012 , vol. 51, # 30 p. 7454 - 7458 |
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~27%
methyl 4-nitro-... CAS#:13138-74-4 |
| Literature: Dudouit, Fabienne; Goossens, Jean-Francois; Houssin, Raymond; Henichart, Jean-Pierre; Colson, Pierre; Houssier, Claude; Gelus, Nathalie; Bailly, Christian Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 6 p. 553 - 557 |
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~7%
methyl 4-nitro-... CAS#:13138-74-4
Learn More
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| Literature: Tetrahedron Letters, , vol. 46, # 42 p. 7101 - 7105 |
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methyl 4-nitro-... CAS#:13138-74-4 |
| Literature: Organic and Biomolecular Chemistry, , vol. 1, # 19 p. 3327 - 3342 |
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methyl 4-nitro-... CAS#:13138-74-4 |
| Literature: US5709867 A1, ; |
![3-[(4-bromo-phenyl)-thiocarbamoylsulfanyl]-propionic acid structure](https://image.chemsrc.com/caspic/162/40824-82-6.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 5 | |
CAS#:5930-93-8
CAS#:13138-76-6
CAS#:13138-78-8
CAS#:72083-62-6
CAS#:67974-07-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl 4-nitropyrrole-2-carboxylate |
| Methyl 4-nitropyrrole-2-carboxylate |
| methyl 4-nitro-2-pyrrolecarboxylate |
| methylnitropyrrolecarboxylate |
| 4-nitro-pyrrole-2-carboxylic acid methyl ester |
| 4-Nitro-pyrrol-2-carbonsaeure-methylester |
| 4-nitro-1H-pyrrole-2-carboxylic acid methyl 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 methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: InChIKey of methyl 4-nitro-1H-pyrrole-2-carboxylate is BRZNAATZQZPGBQ-UHFFFAOYSA-N. |
| Q: What are the downstream products of methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: Related downstream products(CAS) of methyl 4-nitro-1H-pyrrole-2-carboxylate: 5930-93-8;13138-76-6;13138-78-8;72083-62-6;67974-07-6. |
| Q: What is the molecular formula of methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: Molecular formula of methyl 4-nitro-1H-pyrrole-2-carboxylate is C6H6N2O4. |
| Q: What is the English name of methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: The English name of methyl 4-nitro-1H-pyrrole-2-carboxylate is methyl 4-nitro-1H-pyrrole-2-carboxylate. |
| Q: What is the molecular weight of methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: Molecular weight of methyl 4-nitro-1H-pyrrole-2-carboxylate is 170.12300. |
| Q: What English synonyms does methyl 4-nitro-1H-pyrrole-2-carboxylate have? |
| A: English synonyms of methyl 4-nitro-1H-pyrrole-2-carboxylate: methyl 4-nitropyrrole-2-carboxylate, Methyl 4-nitropyrrole-2-carboxylate, methyl 4-nitro-2-pyrrolecarboxylate, methylnitropyrrolecarboxylate, 4-nitro-pyrrole-2-carboxylic acid methyl ester, 4-Nitro-pyrrol-2-carbonsaeure-methylester, 4-nitro-1H-pyrrole-2-carboxylic acid methyl ester. |
| Q: What is the LogP of methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: LogP of methyl 4-nitro-1H-pyrrole-2-carboxylate is 1.23270. |
| Q: What is the boiling point of methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: Boiling point of methyl 4-nitro-1H-pyrrole-2-carboxylate is 342.2ºC at 760mmHg. |
| Q: What is the polar surface area (PSA) of methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: Polar surface area (PSA) of methyl 4-nitro-1H-pyrrole-2-carboxylate is 87.91000. |
| Q: What is the melting point of methyl 4-nitro-1H-pyrrole-2-carboxylate? |
| A: Melting point of methyl 4-nitro-1H-pyrrole-2-carboxylate is 192-193ºC. |
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. |