4-tert-Butyl-2,6-dinitrophenol
4-tert-Butyl-2,6-dinitrophenol structure
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Common Name | 4-tert-Butyl-2,6-dinitrophenol | ||
|---|---|---|---|---|
| CAS Number | 4097-49-8 | Molecular Weight | 240.21300 | |
| Density | 1.347 g/cm3 | Boiling Point | 273.6ºC at 760 mmHg | |
| Molecular Formula | C10H12N2O5 | Melting Point | 93-96°C | |
| MSDS | N/A | Flash Point | 109.3ºC | |
Summary: 4-tert-Butyl-2,6-dinitrophenol (CAS number: 4097-49-8) is a chemical with a molecular formula of C10H12N2O5 and a molecular weight of 240.21300. This compound is for research use only, not for medical or clinical use.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-tert-Butyl-2,6-dinitrophenol |
|---|---|
| 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 | 1.347 g/cm3 |
|---|---|
| Boiling Point | 273.6ºC at 760 mmHg |
| Melting Point | 93-96°C |
| Molecular Formula | C10H12N2O5 |
| Molecular Weight | 240.21300 |
| Flash Point | 109.3ºC |
| Exact Mass | 240.07500 |
| PSA | 111.87000 |
| LogP | 3.55250 |
| Index of Refraction | 1.583 |
| InChIKey | NJBDTWSOYUZQPM-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Risk Phrases | 20/21/22-36/37/38 |
|---|---|
| Safety Phrases | S26-S36 |
| RIDADR | 2811 |
| Packaging Group | III |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-tert-Butyl-2,... CAS#:4097-49-8 |
| Literature: Rojo, Javier; Lehn, Jean-Marie; Baum, Gerhard; Fenske, Dieter; Waldmann, Oliver; Mueller, Paul European Journal of Inorganic Chemistry, 1999 , # 3 p. 517 - 522 |
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~58%
4-tert-Butyl-2,... CAS#:4097-49-8 |
| Literature: Shi, Min; Cui, Shi-Cong; Yin, Wan-Po European Journal of Organic Chemistry, 2005 , # 11 p. 2379 - 2384 |
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4-tert-Butyl-2,... CAS#:4097-49-8 |
| Literature: Hart Journal of the American Chemical Society, 1949 , vol. 71, p. 1966 Full Text View citing articles Show Details Dow Chem. Co. Patent: US2192197 , 1936 ; |
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4-tert-Butyl-2,... CAS#:4097-49-8 |
| Literature: Hart Journal of the American Chemical Society, 1949 , vol. 71, p. 1966 Full Text View citing articles Show Details Dow. Chem. Co. Patent: US2192197 , 1936 ; |
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4-tert-Butyl-2,... CAS#:4097-49-8
Detail
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| Literature: Tierie Recueil des Travaux Chimiques des Pays-Bas, 1934 , vol. 53, p. 126 Full Text Show Details Schaaf Journal fuer Praktische Chemie (Leipzig), 1932 , vol. <2> 133, p. 173 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 3 | |
CAS#:33629-47-9
CAS#:88-89-1
CAS#:2213-81-2This 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.
| EINECS 223-856-9 |
| MFCD00051969 |
| 4-(TERT-BUTYL)-2,6-DINITROPHENOL |
| 2,6-dinitro-4-tert-butyl-phenol |
| 4-t-butyl-2,6-dinitrophenol |
| 2,6-dinitro-4-t-butyl-phenol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 4-tert-Butyl-2,6-dinitrophenol? |
| A: LogP of 4-tert-Butyl-2,6-dinitrophenol is 3.55250. |
| Q: What are the upstream materials of 4-tert-Butyl-2,6-dinitrophenol? |
| A: Related upstream materials(CAS) of 4-tert-Butyl-2,6-dinitrophenol: 98-54-4;88-18-6;7664-93-9;7697-37-2. |
| Q: What is the polar surface area (PSA) of 4-tert-Butyl-2,6-dinitrophenol? |
| A: Polar surface area (PSA) of 4-tert-Butyl-2,6-dinitrophenol is 111.87000. |
| Q: What is the molecular weight of 4-tert-Butyl-2,6-dinitrophenol? |
| A: Molecular weight of 4-tert-Butyl-2,6-dinitrophenol is 240.21300. |
| Q: What is the safety information for 4-tert-Butyl-2,6-dinitrophenol? |
| A: Safety information for 4-tert-Butyl-2,6-dinitrophenol: S26-S36. |
| Q: What is the English name of 4-tert-Butyl-2,6-dinitrophenol? |
| A: The English name of 4-tert-Butyl-2,6-dinitrophenol is 4-tert-Butyl-2,6-dinitrophenol. |
| Q: What English synonyms does 4-tert-Butyl-2,6-dinitrophenol have? |
| A: English synonyms of 4-tert-Butyl-2,6-dinitrophenol: EINECS 223-856-9, MFCD00051969, 4-(TERT-BUTYL)-2,6-DINITROPHENOL, 2,6-dinitro-4-tert-butyl-phenol, 4-t-butyl-2,6-dinitrophenol, 2,6-dinitro-4-t-butyl-phenol. |
| Q: What is the melting point of 4-tert-Butyl-2,6-dinitrophenol? |
| A: Melting point of 4-tert-Butyl-2,6-dinitrophenol is 93-96°C. |
| Q: What is the boiling point of 4-tert-Butyl-2,6-dinitrophenol? |
| A: Boiling point of 4-tert-Butyl-2,6-dinitrophenol is 273.6ºC at 760 mmHg. |
| Q: What are the downstream products of 4-tert-Butyl-2,6-dinitrophenol? |
| A: Related downstream products(CAS) of 4-tert-Butyl-2,6-dinitrophenol: 33629-47-9;88-89-1;2213-81-2. |
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. |