3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one structure
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Common Name | 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one | ||
|---|---|---|---|---|
| CAS Number | 58905-32-1 | Molecular Weight | 167.20800 | |
| Density | 1.09g/cm3 | Boiling Point | 283.3ºC at 760 mmHg | |
| Molecular Formula | C8H13N3O | Melting Point | 62-64 °C | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one |
|---|---|
| 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 | 1.09g/cm3 |
|---|---|
| Boiling Point | 283.3ºC at 760 mmHg |
| Melting Point | 62-64 °C |
| Molecular Formula | C8H13N3O |
| Molecular Weight | 167.20800 |
| Exact Mass | 167.10600 |
| PSA | 47.78000 |
| LogP | 0.89330 |
| Index of Refraction | 1.536 |
| InChIKey | FMWWRALTYIWZEB-UHFFFAOYSA-N |
| SMILES | CC(C)(C)C(=O)Cn1cncn1 |
| Storage condition | 2-8°C |
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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~84%
3,3-Dimethyl-1-... CAS#:58905-32-1 |
| Literature: Astleford, Bret A.; Goe, Gerald L.; Keay, James G.; Scriven, Eric F. V. Journal of Organic Chemistry, 1989 , vol. 54, # 3 p. 731 - 732 |
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3,3-Dimethyl-1-... CAS#:58905-32-1 |
| Literature: US4396624 A1, ; |
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3,3-Dimethyl-1-... CAS#:58905-32-1 |
| Literature: Journal of Medicinal Chemistry, , vol. 30, # 8 p. 1497 - 1502 |
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~66%
3,3-Dimethyl-1-... CAS#:58905-32-1 |
| Literature: Rentzea, Costin N. Angewandte Chemie, 1986 , vol. 98, # 7 p. 644 - 645 |
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~%
3,3-Dimethyl-1-... CAS#:58905-32-1 |
| Literature: Journal of Medicinal Chemistry, , vol. 30, # 8 p. 1497 - 1502 |
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~%
3,3-Dimethyl-1-... CAS#:58905-32-1 |
| Literature: Doklady Chemistry, , vol. 308, # 4-6 p. 299 - 301 Dokl. Akad. Nauk SSSR Ser. Khim., , vol. 308, # 5 p. 1155 - 1158 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 5 | |
CAS#:104940-88-7
CAS#:83657-22-1
CAS#:71347-30-3
CAS#:79174-30-4
CAS#:63190-87-4This 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.
| 2,2-dimethyl-4-(1,2,4-triazol-1-yl)-butan-3-one |
| 1,2,4-Triazol-1-ylpinacolin |
| 1-(1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one |
| 1-(1.2.4-Triazol-1-yl)-3.3-dimethylbutan-2-on |
| 1-tert-butyl-2-(1H-1,2,4-triazol-1-yl)ethanone |
| 1,2,4-TRIAZLOE-3,3-DIMETHYL-BUTANONE |
| 3,3-Dimethyl-1-(1,2,4-triazol-1-yl)-2-butanon |
| 3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOLE-1-YL)-2-BUTANONE |
| 3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone |
| Einecs 261-489-6 |
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 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: Related downstream products(CAS) of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one: 104940-88-7;83657-22-1;71347-30-3;79174-30-4;63190-87-4. |
| Q: What is the English name of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: The English name of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one. |
| Q: What is the melting point of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: Melting point of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is 62-64 °C. |
| Q: What is the molecular weight of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: Molecular weight of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is 167.20800. |
| Q: What are the upstream materials of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: Related upstream materials(CAS) of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one: 118227-31-9;288-88-0;13547-70-1;5469-26-1;41253-21-8;75-97-8. |
| Q: What is the boiling point of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: Boiling point of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is 283.3ºC at 760 mmHg. |
| Q: What English synonyms does 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one have? |
| A: English synonyms of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)-butan-3-one, 1,2,4-Triazol-1-ylpinacolin, 1-(1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one, 1-(1.2.4-Triazol-1-yl)-3.3-dimethylbutan-2-on, 1-tert-butyl-2-(1H-1,2,4-triazol-1-yl)ethanone, 1,2,4-TRIAZLOE-3,3-DIMETHYL-BUTANONE, 3,3-Dimethyl-1-(1,2,4-triazol-1-yl)-2-butanon, 3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOLE-1-YL)-2-BUTANONE, 3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone, Einecs 261-489-6. |
| Q: What is the polar surface area (PSA) of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: Polar surface area (PSA) of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is 47.78000. |
| Q: What is the InChIKey of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: InChIKey of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is FMWWRALTYIWZEB-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one? |
| A: CAS number of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is 58905-32-1. |
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. |