Benzeneacetic acid,2-bromo-4,5-dimethoxy
Benzeneacetic acid,2-bromo-4,5-dimethoxy structure
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Common Name | Benzeneacetic acid,2-bromo-4,5-dimethoxy | ||
|---|---|---|---|---|
| CAS Number | 4697-62-5 | Molecular Weight | 275.09600 | |
| Density | 1.519g/cm3 | Boiling Point | 377.1ºC at 760mmHg | |
| Molecular Formula | C10H11BrO4 | Melting Point | 94ºC | |
| MSDS | N/A | Flash Point | 181.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Bromo-4,5-dimethoxyphenylacetic 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.
| Density | 1.519g/cm3 |
|---|---|
| Boiling Point | 377.1ºC at 760mmHg |
| Melting Point | 94ºC |
| Molecular Formula | C10H11BrO4 |
| Molecular Weight | 275.09600 |
| Flash Point | 181.8ºC |
| Exact Mass | 273.98400 |
| PSA | 55.76000 |
| LogP | 2.09340 |
| Index of Refraction | 1.558 |
| InChIKey | MDOLAGJKKZEHHW-UHFFFAOYSA-N |
| SMILES | COc1cc(Br)c(CC(=O)O)cc1OC |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-36/37/39 |
| HS Code | 2918990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~96%
Benzeneacetic a... CAS#:4697-62-5 |
| Literature: Synthesis, , # 8 p. 1375 - 1385 |
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~%
Benzeneacetic a... CAS#:4697-62-5 |
| Literature: Journal of the American Chemical Society, , vol. 59, p. 1541,1545 |
|
~%
Benzeneacetic a... CAS#:4697-62-5 |
| Literature: Journal of the American Chemical Society, , vol. 59, p. 1541,1545 |
|
~%
Benzeneacetic a... CAS#:4697-62-5 |
| Literature: Journal of the American Chemical Society, , vol. 59, p. 1541,1545 |
|
~%
Benzeneacetic a... CAS#:4697-62-5 |
| Literature: Synthesis, , # 8 p. 1375 - 1385 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 7 | |
![Benzeneacetamide,2-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxy structure](https://image.chemsrc.com/caspic/357/22185-91-7.png)
CAS#:22185-91-7
CAS#:16135-41-4![1,3-Dioxolo[4,5-g]isoquinoline, 5-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro structure](https://image.chemsrc.com/caspic/221/25888-41-9.png)
CAS#:25888-41-9![6-[2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol structure](https://image.chemsrc.com/caspic/123/90382-31-3.png)
CAS#:90382-31-3
CAS#:90998-36-0![1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline structure](https://image.chemsrc.com/caspic/061/41823-67-0.png)
CAS#:41823-67-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid |
| MFCD00016819 |
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 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: SMILES notation of 2-Bromo-4,5-dimethoxyphenylacetic acid is COc1cc(Br)c(CC(=O)O)cc1OC. |
| Q: What is the molecular formula of 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: Molecular formula of 2-Bromo-4,5-dimethoxyphenylacetic acid is C10H11BrO4. |
| Q: What is the LogP of 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: LogP of 2-Bromo-4,5-dimethoxyphenylacetic acid is 2.09340. |
| Q: What are the downstream products of 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: Related downstream products(CAS) of 2-Bromo-4,5-dimethoxyphenylacetic acid: 22185-91-7;93-40-3;16135-41-4;25888-41-9;90382-31-3;90998-36-0;41823-67-0. |
| Q: What is the safety information for 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: Safety information for 2-Bromo-4,5-dimethoxyphenylacetic acid: 26-36/37/39. |
| Q: What are the upstream materials of 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: Related upstream materials(CAS) of 2-Bromo-4,5-dimethoxyphenylacetic acid: 93-40-3;51655-39-1;54370-01-3;54370-00-2;93-17-4. |
| Q: What is the polar surface area (PSA) of 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: Polar surface area (PSA) of 2-Bromo-4,5-dimethoxyphenylacetic acid is 55.76000. |
| Q: What English synonyms does 2-Bromo-4,5-dimethoxyphenylacetic acid have? |
| A: English synonyms of 2-Bromo-4,5-dimethoxyphenylacetic acid: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid, MFCD00016819. |
| Q: What is the melting point of 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: Melting point of 2-Bromo-4,5-dimethoxyphenylacetic acid is 94ºC. |
| Q: What is the boiling point of 2-Bromo-4,5-dimethoxyphenylacetic acid? |
| A: Boiling point of 2-Bromo-4,5-dimethoxyphenylacetic acid is 377.1ºC at 760mmHg. |
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. |