2-methylpentan-2-yl 4-nitrobenzoate
2-methylpentan-2-yl 4-nitrobenzoate structure
|
Common Name | 2-methylpentan-2-yl 4-nitrobenzoate | ||
|---|---|---|---|---|
| CAS Number | 68001-66-1 | Molecular Weight | 251.27800 | |
| Density | 1.133g/cm3 | Boiling Point | 356.9ºC at 760 mmHg | |
| Molecular Formula | C13H17NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 142.5ºC | |
Summary: 2-Methylpentan-2-yl 4-nitrobenzoate (CAS号：68001-66-1) is a compound with molecular formula C13H17NO4 and molecular weight 251.27800. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methylpentan-2-yl 4-nitrobenzoate |
|---|---|
| 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 | 1.133g/cm3 |
|---|---|
| Boiling Point | 356.9ºC at 760 mmHg |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.27800 |
| Flash Point | 142.5ºC |
| Exact Mass | 251.11600 |
| PSA | 72.12000 |
| LogP | 3.85350 |
| Index of Refraction | 1.522 |
| InChIKey | UENNBMDLAPCFCW-UHFFFAOYSA-N |
| SMILES | CCCC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
2-methylpentan-... CAS#:68001-66-1 |
| Literature: Matsunaga; Miyajima Molecular crystals and liquid crystals, 1984 , vol. 104, # 3-4 p. 353 - 359 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Nitro-benzoesaeure-(1,1-dimethyl-butylester) |
| 4-nitro-benzoic acid-(1,1-dimethyl-butyl 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 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: InChIKey of 2-methylpentan-2-yl 4-nitrobenzoate is UENNBMDLAPCFCW-UHFFFAOYSA-N. |
| Q: What is the English name of 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: The English name of 2-methylpentan-2-yl 4-nitrobenzoate is 2-methylpentan-2-yl 4-nitrobenzoate. |
| Q: What is the CAS number of 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: CAS number of 2-methylpentan-2-yl 4-nitrobenzoate is 68001-66-1. |
| Q: What is the polar surface area (PSA) of 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: Polar surface area (PSA) of 2-methylpentan-2-yl 4-nitrobenzoate is 72.12000. |
| Q: What is the molecular formula of 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: Molecular formula of 2-methylpentan-2-yl 4-nitrobenzoate is C13H17NO4. |
| Q: What is the boiling point of 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: Boiling point of 2-methylpentan-2-yl 4-nitrobenzoate is 356.9ºC at 760 mmHg. |
| Q: What is the LogP of 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: LogP of 2-methylpentan-2-yl 4-nitrobenzoate is 3.85350. |
| Q: What is the SMILES notation of 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: SMILES notation of 2-methylpentan-2-yl 4-nitrobenzoate is CCCC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1. |
| Q: What is the Chinese name of 68001-66-1? |
| A: Chinese name of 68001-66-1 is 68001-66-1. |
| Q: What is the molecular weight of 2-methylpentan-2-yl 4-nitrobenzoate? |
| A: Molecular weight of 2-methylpentan-2-yl 4-nitrobenzoate is 251.27800. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |