2-[2-(4-bromophenyl)ethyl]benzoic acid
![2-[2-(4-bromophenyl)ethyl]benzoic acid Structure](https://image.chemsrc.com/caspic/153/3973-52-2.png)
2-[2-(4-bromophenyl)ethyl]benzoic acid structure
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Common Name | 2-[2-(4-bromophenyl)ethyl]benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 3973-52-2 | Molecular Weight | 305.16700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C15H13BrO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-[2-(4-bromophenyl)ethyl]benzoic acid |
|---|---|
| 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.
| Molecular Formula | C15H13BrO2 |
|---|---|
| Molecular Weight | 305.16700 |
| Exact Mass | 304.01000 |
| PSA | 37.30000 |
| LogP | 3.93250 |
| InChIKey | IWJYTHFNMHRKKP-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccccc1CCc1ccc(Br)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
2-[2-(4-bromoph... CAS#:3973-52-2 |
| Literature: Merck and Co., Inc. Patent: US5492917 A1, 1996 ; US 5492917 A |
|
~87%
2-[2-(4-bromoph... CAS#:3973-52-2 |
| Literature: Schmuck, Carsten; Wienand, Wolfgang Synthesis, 2002 , # 5 p. 655 - 663 |
|
~58%
2-[2-(4-bromoph... CAS#:3973-52-2 |
| Literature: Mikotic-Mihun, Zvonimira; Dogan, Jasna; Litvic, Mladen; Cepanec, Ivica; Karminski-Zamola, Grace M. Synthetic Communications, 1998 , vol. 28, # 12 p. 2191 - 2202 |
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~%
2-[2-(4-bromoph... CAS#:3973-52-2 |
| Literature: Schmuck, Carsten; Wienand, Wolfgang Synthesis, 2002 , # 5 p. 655 - 663 |
|
~%
2-[2-(4-bromoph... CAS#:3973-52-2 |
| Literature: Schmuck, Carsten; Wienand, Wolfgang Synthesis, 2002 , # 5 p. 655 - 663 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-[2-(p-bromophenyl)ethyl]benzoic acid |
| 2-(p-bromophenethyl)-benzoic acid |
| 2-(4-Brom-phenaethyl)-benzoesaeure |
| Benzoic acid,2-[2-(4-bromophenyl)ethyl] |
| [2-(4-bromophenyl)ethyl]benzoic acid |
| o-(p-Brom-phenaethyl)-benzoesaeure |
| 2-(4-bromophenethyl)-benzoic acid |
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-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: InChIKey of 2-[2-(4-bromophenyl)ethyl]benzoic acid is IWJYTHFNMHRKKP-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 2-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: SMILES notation of 2-[2-(4-bromophenyl)ethyl]benzoic acid is O=C(O)c1ccccc1CCc1ccc(Br)cc1. |
| Q: What is the English name of 2-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: The English name of 2-[2-(4-bromophenyl)ethyl]benzoic acid is 2-[2-(4-bromophenyl)ethyl]benzoic acid. |
| Q: What is the Chinese name of 3973-52-2? |
| A: Chinese name of 3973-52-2 is 3973-52-2. |
| Q: What is the molecular weight of 2-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: Molecular weight of 2-[2-(4-bromophenyl)ethyl]benzoic acid is 305.16700. |
| Q: What is the molecular formula of 2-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: Molecular formula of 2-[2-(4-bromophenyl)ethyl]benzoic acid is C15H13BrO2. |
| Q: What is the LogP of 2-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: LogP of 2-[2-(4-bromophenyl)ethyl]benzoic acid is 3.93250. |
| Q: What is the CAS number of 2-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: CAS number of 2-[2-(4-bromophenyl)ethyl]benzoic acid is 3973-52-2. |
| Q: What is the polar surface area (PSA) of 2-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: Polar surface area (PSA) of 2-[2-(4-bromophenyl)ethyl]benzoic acid is 37.30000. |
| Q: What are the upstream materials of 2-[2-(4-bromophenyl)ethyl]benzoic acid? |
| A: Related upstream materials(CAS) of 2-[2-(4-bromophenyl)ethyl]benzoic acid: 60-29-7;4890-85-1;3979-66-6;1878-68-8;85-44-9. |