2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile
2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile structure
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Common Name | 2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile | ||
|---|---|---|---|---|
| CAS Number | 754159-15-4 | Molecular Weight | 121.14000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C6H7N3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(1-methylpyrazol-4-yl)acetonitrile |
|---|---|
| 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.
| Molecular Formula | C6H7N3 |
|---|---|
| Molecular Weight | 121.14000 |
| Exact Mass | 121.06400 |
| PSA | 41.61000 |
| LogP | 0.48618 |
| InChIKey | OZAQPNNARZFABP-UHFFFAOYSA-N |
| SMILES | Cn1cc(CC#N)cn1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933199090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~63%
2-(1-Methyl-1H-... CAS#:754159-15-4 |
| Literature: MERCK SHARP and DOHME CORP.; CHILDREN'S HOSPITAL OF PHILADELPHIA; COLE, Kristina; MARIS, John; RUSSELL, Michael; BENITA, Yair; KUBICA, Jamie; SHUMWAY, Stuart Denham Patent: WO2014/62454 A1, 2014 ; Location in patent: Page/Page column 34 ; |
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~%
2-(1-Methyl-1H-... CAS#:754159-15-4 |
| Literature: SCHERING CORPORATION Patent: WO2008/153870 A1, 2008 ; Location in patent: Page/Page column 30-31 ; |
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~%
2-(1-Methyl-1H-... CAS#:754159-15-4 |
| Literature: Frey, Robin R.; Curtin, Michael L.; Albert, Daniel H.; Glaser, Keith B.; Pease, Lori J.; Soni, Niru B.; Bouska, Jennifer J.; Reuter, David; Stewart, Kent D.; Marcotte, Patrick; Bukofzer, Gail; Li, Junling; Davidsen, Steven K.; Michaelides, Michael R. Journal of Medicinal Chemistry, 2008 , vol. 51, # 13 p. 3777 - 3787 |
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~63%
2-(1-Methyl-1H-... CAS#:754159-15-4 |
| Literature: Dwyer, Michael P.; Paruch, Kamil; Labroli, Marc; Alvarez, Carmen; Keertikar, Kerry M.; Poker, Cory; Rossman, Randall; Fischmann, Thierry O.; Duca, Jose S.; Madison, Vincent; Parry, David; Davis, Nicole; Seghezzi, Wolfgang; Wiswell, Derek; Guzi, Timothy J. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 1 p. 471 - 474 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
CAS#:891494-63-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933199090 |
|---|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. 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.
| 1H-PYRAZOLE-4-ACETONITRILE,1-METHYL |
| (1-methyl-1H-pyrazol-4-yl)acetonitrile |
| 2-(1-METHYL-1H-PYRAZOL-4-YL)ACETONITRILE |
| 1-METHYL-1H-PYRAZOLE-4-ACETONITRILE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: Molecular formula of 2-(1-methylpyrazol-4-yl)acetonitrile is C6H7N3. |
| Q: What is the English name of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: The English name of 2-(1-methylpyrazol-4-yl)acetonitrile is 2-(1-methylpyrazol-4-yl)acetonitrile. |
| Q: What is the LogP of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: LogP of 2-(1-methylpyrazol-4-yl)acetonitrile is 0.48618. |
| Q: What English synonyms does 2-(1-methylpyrazol-4-yl)acetonitrile have? |
| A: English synonyms of 2-(1-methylpyrazol-4-yl)acetonitrile: 1H-PYRAZOLE-4-ACETONITRILE,1-METHYL, (1-methyl-1H-pyrazol-4-yl)acetonitrile, 2-(1-METHYL-1H-PYRAZOL-4-YL)ACETONITRILE, 1-METHYL-1H-PYRAZOLE-4-ACETONITRILE. |
| Q: What is the InChIKey of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: InChIKey of 2-(1-methylpyrazol-4-yl)acetonitrile is OZAQPNNARZFABP-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: Molecular weight of 2-(1-methylpyrazol-4-yl)acetonitrile is 121.14000. |
| Q: What is the CAS number of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: CAS number of 2-(1-methylpyrazol-4-yl)acetonitrile is 754159-15-4. |
| Q: What is the polar surface area (PSA) of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: Polar surface area (PSA) of 2-(1-methylpyrazol-4-yl)acetonitrile is 41.61000. |
| Q: What are the upstream materials of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: Related upstream materials(CAS) of 2-(1-methylpyrazol-4-yl)acetonitrile: 25016-11-9;38622-91-2;154312-86-4;13435-20-6;735241-98-2;5697-44-9. |
| Q: What are the downstream products of 2-(1-methylpyrazol-4-yl)acetonitrile? |
| A: Related downstream products(CAS) of 2-(1-methylpyrazol-4-yl)acetonitrile: 891494-63-6. |
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. |