Methyl4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
![Methyl4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Structure](https://image.chemsrc.com/caspic/122/1207518-63-5.png)
Methyl4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate structure
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Common Name | Methyl4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 1207518-63-5 | Molecular Weight | 211.605 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 391.2±37.0 °C at 760 mmHg | |
| Molecular Formula | C8H6ClN3O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 190.4±26.5 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 391.2±37.0 °C at 760 mmHg |
| Molecular Formula | C8H6ClN3O2 |
| Molecular Weight | 211.605 |
| Flash Point | 190.4±26.5 °C |
| Exact Mass | 211.014847 |
| PSA | 67.87000 |
| LogP | 1.42 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.666 |
| InChIKey | BFUCSJAQMGZHOP-UHFFFAOYSA-N |
| SMILES | COC(=O)c1c[nH]c2ncnc(Cl)c12 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Methyl4-chloro-... CAS#:1207518-63-5 |
| Literature: NOVARTIS AG; CHEN, Yen-Liang; DURAISWAMY, Jeyaraj; KONDREDDI, Ravinder Reddy; YIN, Zheng Patent: WO2010/15637 A1, 2010 ; Location in patent: Page/Page column 94-95 ; |
![5-Bromo-4-chloro-1H-pyrrolo[2,3-d]pyrimidine structure](https://image.chemsrc.com/caspic/208/22276-95-5.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This 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.
| 4-chloro-7h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester |
| 7h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid,4-chloro-,methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: CAS number of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is 1207518-63-5. |
| Q: What is the SMILES notation of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: SMILES notation of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1c[nH]c2ncnc(Cl)c12. |
| Q: What is the molecular formula of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: Molecular formula of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is C8H6ClN3O2. |
| Q: What is the boiling point of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: Boiling point of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is 391.2±37.0 °C at 760 mmHg. |
| Q: What is the InChIKey of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: InChIKey of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is BFUCSJAQMGZHOP-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: Polar surface area (PSA) of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is 67.87000. |
| Q: What are the upstream materials of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: Related upstream materials(CAS) of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate: 22276-95-5;79-22-1. |
| Q: What is the molecular weight of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: Molecular weight of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is 211.605. |
| Q: What is the LogP of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate? |
| A: LogP of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is 1.42. |
| Q: What English synonyms does methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate have? |
| A: English synonyms of methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate: 4-chloro-7h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester, 7h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid,4-chloro-,methyl ester. |
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. |