Benzenesulfonic acid,2,4,6-tris(1-methylethyl)-, ethyl ester
Benzenesulfonic acid,2,4,6-tris(1-methylethyl)-, ethyl ester structure
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Common Name | Benzenesulfonic acid,2,4,6-tris(1-methylethyl)-, ethyl ester | ||
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| CAS Number | 7253-78-3 | Molecular Weight | 312.46700 | |
| Density | 1.026g/cm3 | Boiling Point | 378.1ºC at 760 mmHg | |
| Molecular Formula | C17H28O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 182.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate |
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| 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 | 1.026g/cm3 |
|---|---|
| Boiling Point | 378.1ºC at 760 mmHg |
| Molecular Formula | C17H28O3S |
| Molecular Weight | 312.46700 |
| Flash Point | 182.4ºC |
| Exact Mass | 312.17600 |
| PSA | 51.75000 |
| LogP | 5.86280 |
| Index of Refraction | 1.491 |
| InChIKey | BPNGKKNDMBIPMR-UHFFFAOYSA-N |
| SMILES | CCOS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Benzenesulfonic... CAS#:7253-78-3 |
| Literature: Guthrie, R. D. (Gus); Thang, San Australian Journal of Chemistry, 1987 , vol. 40, # 12 p. 2133 - 2136 |
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~%
Benzenesulfonic... CAS#:7253-78-3 |
| Literature: Pearson,D.E. et al. Journal of Organic Chemistry, 1960 , vol. 25, p. 867 - 869 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| ethyl-2,4,6-tri-isopropylbenzenesulphonate |
| 1,3,5-Triisopropyl-benzol-sulfonsaeure-(2)-aethylester |
| Benzenesulfonic acid,2,4,6-tris(1-methylethyl)-,ethyl 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 ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: InChIKey of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is BPNGKKNDMBIPMR-UHFFFAOYSA-N. |
| Q: What is the boiling point of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: Boiling point of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is 378.1ºC at 760 mmHg. |
| Q: What is the SMILES notation of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: SMILES notation of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is CCOS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C. |
| Q: What is the molecular weight of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: Molecular weight of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is 312.46700. |
| Q: What English synonyms does ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate have? |
| A: English synonyms of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate: ethyl-2,4,6-tri-isopropylbenzenesulphonate, 1,3,5-Triisopropyl-benzol-sulfonsaeure-(2)-aethylester, Benzenesulfonic acid,2,4,6-tris(1-methylethyl)-,ethyl ester. |
| Q: What is the LogP of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: LogP of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is 5.86280. |
| Q: What is the polar surface area (PSA) of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: Polar surface area (PSA) of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is 51.75000. |
| Q: What is the CAS number of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: CAS number of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is 7253-78-3. |
| Q: What is the molecular formula of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: Molecular formula of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is C17H28O3S. |
| Q: What is the English name of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate? |
| A: The English name of ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |