methyl 4-iodo-1H-pyrazole-3-carboxylate
methyl 4-iodo-1H-pyrazole-3-carboxylate structure
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Common Name | methyl 4-iodo-1H-pyrazole-3-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 136944-79-1 | Molecular Weight | 252.01000 | |
| Density | N/A | Boiling Point | 338.5±22.0°C at 760 mmHg | |
| Molecular Formula | C5H5IN2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: Methyl 4-iodo-1H-pyrazole-5-carboxylate (CAS number: 136944-79-1) is a chemical substance with molecular formula C5H5IN2O2 and molecular weight 252.01000, intended for research use only.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 4-iodo-1H-pyrazole-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.
| Boiling Point | 338.5±22.0°C at 760 mmHg |
|---|---|
| Molecular Formula | C5H5IN2O2 |
| Molecular Weight | 252.01000 |
| Exact Mass | 251.94000 |
| PSA | 54.98000 |
| LogP | 0.80090 |
| InChIKey | ZRVNKQJWKJVSSF-UHFFFAOYSA-N |
| SMILES | COC(=O)c1[nH]ncc1I |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~85%
methyl 4-iodo-1... CAS#:136944-79-1 |
| Literature: Moriyama, Kei; Suzuki, Tetsuya; Negishi, Kazuo; Graci, Jason D.; Thompson, Corinne N.; Cameron, Craig E.; Watanabe, Masahiko Journal of Medicinal Chemistry, 2008 , vol. 51, # 1 p. 159 - 166 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-methoxycarbonyl-4-iodo-1H-pyrazole |
| methyl 4-iodopyrazole-3-carboxylate |
| 4-iodo-3-methoxycarbonyl-pyrazole |
| methyl 4-iodo-1H-pyrazole-3-carboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: Polar surface area (PSA) of methyl 4-iodo-1H-pyrazole-5-carboxylate is 54.98000. |
| Q: What is the molecular formula of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: Molecular formula of methyl 4-iodo-1H-pyrazole-5-carboxylate is C5H5IN2O2. |
| Q: What English synonyms does methyl 4-iodo-1H-pyrazole-5-carboxylate have? |
| A: English synonyms of methyl 4-iodo-1H-pyrazole-5-carboxylate: 3-methoxycarbonyl-4-iodo-1H-pyrazole, methyl 4-iodopyrazole-3-carboxylate, 4-iodo-3-methoxycarbonyl-pyrazole, methyl 4-iodo-1H-pyrazole-3-carboxylate. |
| Q: What is the molecular weight of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: Molecular weight of methyl 4-iodo-1H-pyrazole-5-carboxylate is 252.01000. |
| Q: What is the LogP of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: LogP of methyl 4-iodo-1H-pyrazole-5-carboxylate is 0.80090. |
| Q: What is the English name of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: The English name of methyl 4-iodo-1H-pyrazole-5-carboxylate is methyl 4-iodo-1H-pyrazole-5-carboxylate. |
| Q: What is the CAS number of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: CAS number of methyl 4-iodo-1H-pyrazole-5-carboxylate is 136944-79-1. |
| Q: What is the boiling point of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: Boiling point of methyl 4-iodo-1H-pyrazole-5-carboxylate is 338.5±22.0°C at 760 mmHg. |
| Q: What is the InChIKey of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: InChIKey of methyl 4-iodo-1H-pyrazole-5-carboxylate is ZRVNKQJWKJVSSF-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of methyl 4-iodo-1H-pyrazole-5-carboxylate? |
| A: SMILES notation of methyl 4-iodo-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1I. |
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. |