1-Bromo-4-tert-butylbenzene structure
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Common Name | 1-Bromo-4-tert-butylbenzene | ||
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| CAS Number | 3972-65-4 | Molecular Weight | 213.11 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 232.0±9.0 °C at 760 mmHg | |
| Molecular Formula | C10H13Br | Melting Point | 13-16 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 97.2±0.0 °C | |
Use of 1-Bromo-4-tert-butylbenzene1-Bromo-4-tert-butylbenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-Bromo-4-tert-butylbenzene |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 1-Bromo-4-tert-butylbenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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| Related Catalog | |
| In Vitro | 1-Bromo-4-tert-butylbenzene 用于合成 4-tert-butyl-phenylboronic acid1、CP-47,497 的 1-deoxy 类似物 (n = 0 to 7) 和 CP-55,940 的 1-deoxy 类似物 (n = 0 到 7)。它在 0°C 下在各种溶剂中与正丁基锂和叔丁基锂进行溴化锂交换反应。 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 232.0±9.0 °C at 760 mmHg |
| Melting Point | 13-16 °C(lit.) |
| Molecular Formula | C10H13Br |
| Molecular Weight | 213.11 |
| Flash Point | 97.2±0.0 °C |
| Exact Mass | 212.020050 |
| LogP | 4.68 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.519 |
| InChIKey | XHCAGOVGSDHHNP-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(Br)cc1 |
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.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S23-S24/25-S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 29036990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
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| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2903999090 |
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| Summary | 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Synthesis and pharmacology of 1-deoxy analogs of CP-47,497 and CP-55,940.
Bioorg. Med. Chem. 16 , 322-35, (2008) A series of 1-deoxy analogs of CP-47,497 (8 and 13, n=0-7) and 1-deoxy analogs of CP-55,940 (9, n=0-7) have been synthesized and their affinities for the cannabinoid CB(1) and CB(2) receptors have bee... |
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Effect of solvent on the lithium-bromine exchange of aryl bromides: reactions of n-butyllithium and tert-butyllithium with 1-bromo-4-tert-butylbenzene at 0 degrees C.
J. Org. Chem. 71(7) , 2825-8, (2006) The outcome of reactions of 1-bromo-4-tert-butylbenzene (1), a representative aryl bromide, with n-BuLi or t-BuLi at 0 degrees C in a variety of solvent systems has been investigated. The products of ... |
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Novel non-symmetric nickel-diimine complexes for the homopolymerization of ethene: Control of branching by catalyst design. Schmid M, et al.
Z. Naturforsch. B 57(10) , 1141-46, (2002)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| p-Bromo-tert-butylbenzene |
| 4-tert-Butylbromobenzene |
| MFCD00000108 |
| 1-Bromo-4-(2-methyl-2-propanyl)benzene |
| p-Bromo-t-butylbenzene |
| p-tert-butyl bromo benzene |
| 1-Bromo-4-tert-butylbenzene |
| 4-bromo-1-tert-butylbenzene |
| 1-Bromo-4-(tert-butyl)benzene |
| EINECS 223-599-2 |
| Butylbromobenzene |
| 1-BROMO-p-t-BUTYLBENZENE |
| 4-Bromo-tert-butylbenzene |
| 4-t-Butylbromobenzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 1-Bromo-4-tert-butylbenzene? |
| A: SMILES notation of 1-Bromo-4-tert-butylbenzene is CC(C)(C)c1ccc(Br)cc1. |
| Q: What is the LogP of 1-Bromo-4-tert-butylbenzene? |
| A: LogP of 1-Bromo-4-tert-butylbenzene is 4.68. |
| Q: What is the CAS number of 1-Bromo-4-tert-butylbenzene? |
| A: CAS number of 1-Bromo-4-tert-butylbenzene is 3972-65-4. |
| Q: What is the molecular weight of 1-Bromo-4-tert-butylbenzene? |
| A: Molecular weight of 1-Bromo-4-tert-butylbenzene is 213.11. |
| Q: What are the uses of 1-Bromo-4-tert-butylbenzene? |
| A: Main uses of 1-Bromo-4-tert-butylbenzene: 1-Bromo-4-tert-butylbenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
| Q: What is the molecular formula of 1-Bromo-4-tert-butylbenzene? |
| A: Molecular formula of 1-Bromo-4-tert-butylbenzene is C10H13Br. |
| Q: What is the English name of 1-Bromo-4-tert-butylbenzene? |
| A: The English name of 1-Bromo-4-tert-butylbenzene is 1-Bromo-4-tert-butylbenzene. |
| Q: What is the safety information for 1-Bromo-4-tert-butylbenzene? |
| A: Safety information for 1-Bromo-4-tert-butylbenzene: S23-S24/25-S37/39-S26. |
| Q: What English synonyms does 1-Bromo-4-tert-butylbenzene have? |
| A: English synonyms of 1-Bromo-4-tert-butylbenzene: p-Bromo-tert-butylbenzene, 4-tert-Butylbromobenzene, MFCD00000108, 1-Bromo-4-(2-methyl-2-propanyl)benzene, p-Bromo-t-butylbenzene, p-tert-butyl bromo benzene, 1-Bromo-4-tert-butylbenzene, 4-bromo-1-tert-butylbenzene, 1-Bromo-4-(tert-butyl)benzene, EINECS 223-599-2, Butylbromobenzene, 1-BROMO-p-t-BUTYLBENZENE, 4-Bromo-tert-butylbenzene, 4-t-Butylbromobenzene. |
| Q: What is the boiling point of 1-Bromo-4-tert-butylbenzene? |
| A: Boiling point of 1-Bromo-4-tert-butylbenzene is 232.0±9.0 °C at 760 mmHg. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |