acetic acid,4-bromo-3-methylphenol
acetic acid,4-bromo-3-methylphenol structure
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Common Name | acetic acid,4-bromo-3-methylphenol | ||
|---|---|---|---|---|
| CAS Number | 22012-59-5 | Molecular Weight | 247.08600 | |
| Density | 1.435g/cm3 | Boiling Point | 266.8ºC at 760 mmHg | |
| Molecular Formula | C9H11BrO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 115.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | acetic acid,4-bromo-3-methylphenol |
|---|---|
| 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 | 1.435g/cm3 |
|---|---|
| Boiling Point | 266.8ºC at 760 mmHg |
| Molecular Formula | C9H11BrO3 |
| Molecular Weight | 247.08600 |
| Flash Point | 115.1ºC |
| Exact Mass | 245.98900 |
| PSA | 57.53000 |
| LogP | 2.55400 |
| Vapour Pressure | 0.00847mmHg at 25°C |
| Index of Refraction | 1.54 |
| InChIKey | RNRRARDXMZYKEH-UHFFFAOYSA-N |
| SMILES | CC(=O)O.Cc1cc(O)ccc1Br |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~67%
acetic acid,4-b... CAS#:22012-59-5 |
| Literature: SANOFI-AVENTIS; GEORGE, Pascal; HALL, Daniel; HARTUNG, Ryan; KOSLEY, JR., Raymond W.; SCOTESE, Anthony C. Patent: WO2011/34828 A1, 2011 ; Location in patent: Page/Page column 65 ; WO 2011/034828 A1 |
|
~%
acetic acid,4-b... CAS#:22012-59-5 |
| Literature: Sandoz Ltd. Patent: US5574049 A1, 1996 ; US 5574049 A |
|
~85%
acetic acid,4-b... CAS#:22012-59-5 |
| Literature: Rao, A. V. Rama; Mehendale, A. R.; Reddy, K. Bal Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 12 p. 1154 - 1164 |
|
~%
acetic acid,4-b... CAS#:22012-59-5 |
| Literature: Gabriel, Gabriel; Pickles, Robert; Tyman, John H. P. Journal of Chemical Research, Miniprint, 1989 , # 11 p. 2713 - 2739 |
|
~%
acetic acid,4-b... CAS#:22012-59-5 |
| Literature: Chaintreau, Alain; Adrian, Guy; Couturier, Daniel Journal of Organic Chemistry, 1981 , vol. 46, # 22 p. 4562 - 4564 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 2 | |
CAS#:50342-17-1
CAS#:33147-10-3This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-Brom-3-acetoxy-toluol |
| 3-Acetoxy-6-bromotoluene |
| Phenol,4-bromo-3-methyl-,acetate |
| 4-bromo-3-methylphenyl acetate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of acetic acid,4-bromo-3-methylphenol? |
| A: InChIKey of acetic acid,4-bromo-3-methylphenol is RNRRARDXMZYKEH-UHFFFAOYSA-N. |
| Q: What are the upstream materials of acetic acid,4-bromo-3-methylphenol? |
| A: Related upstream materials(CAS) of acetic acid,4-bromo-3-methylphenol: 14472-14-1;75-36-5;108-24-7;108-39-4;122-46-3. |
| Q: What is the CAS number of acetic acid,4-bromo-3-methylphenol? |
| A: CAS number of acetic acid,4-bromo-3-methylphenol is 22012-59-5. |
| Q: What English synonyms does acetic acid,4-bromo-3-methylphenol have? |
| A: English synonyms of acetic acid,4-bromo-3-methylphenol: 6-Brom-3-acetoxy-toluol, 3-Acetoxy-6-bromotoluene, Phenol,4-bromo-3-methyl-,acetate, 4-bromo-3-methylphenyl acetate. |
| Q: What is the SMILES notation of acetic acid,4-bromo-3-methylphenol? |
| A: SMILES notation of acetic acid,4-bromo-3-methylphenol is CC(=O)O.Cc1cc(O)ccc1Br. |
| Q: What are the downstream products of acetic acid,4-bromo-3-methylphenol? |
| A: Related downstream products(CAS) of acetic acid,4-bromo-3-methylphenol: 50342-17-1;33147-10-3. |
| Q: What is the molecular weight of acetic acid,4-bromo-3-methylphenol? |
| A: Molecular weight of acetic acid,4-bromo-3-methylphenol is 247.08600. |
| Q: What is the molecular formula of acetic acid,4-bromo-3-methylphenol? |
| A: Molecular formula of acetic acid,4-bromo-3-methylphenol is C9H11BrO3. |
| Q: What is the boiling point of acetic acid,4-bromo-3-methylphenol? |
| A: Boiling point of acetic acid,4-bromo-3-methylphenol is 266.8ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of acetic acid,4-bromo-3-methylphenol? |
| A: Polar surface area (PSA) of acetic acid,4-bromo-3-methylphenol is 57.53000. |