2-Bromo-1-(3-methoxyphenyl)ethanone
2-Bromo-1-(3-methoxyphenyl)ethanone structure
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Common Name | 2-Bromo-1-(3-methoxyphenyl)ethanone | ||
|---|---|---|---|---|
| CAS Number | 5000-65-7 | Molecular Weight | 229.071 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 278.1±15.0 °C at 760 mmHg | |
| Molecular Formula | C9H9BrO2 | Melting Point | 60-62 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 122.0±20.4 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3'-methoxyphenacyl bromide |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 278.1±15.0 °C at 760 mmHg |
| Melting Point | 60-62 °C(lit.) |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.071 |
| Flash Point | 122.0±20.4 °C |
| Exact Mass | 227.978592 |
| PSA | 26.30000 |
| LogP | 2.37 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.554 |
| InChIKey | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| SMILES | COc1cccc(C(=O)CBr)c1 |
| Storage condition | 0-6°C |
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.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R22;R34 |
| Safety Phrases | S26-S27-S28-S36/37/39-S45 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2914700090 |
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 1 | |
|---|---|
| DownStream 10 | |
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CAS#:18927-05-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% 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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The influence of genetic polymorphism of Cyp2c19 isoenzyme on the pharmacokinetics of clopidogrel and its metabolites in patients with cardiovascular diseases.
J. Clin. Pharmacol. 54(8) , 874-80, (2014) An extensive investigation on pharmacokinetics of clopidogrel and its metabolites as well as pharmacodynamics of the drug was performed in patients with cardiovascular disease carrying various alleles... |
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Identification of alcohol-dependent clopidogrel metabolites using conventional liquid chromatography/triple quadrupole mass spectrometry.
Rapid Commun. Mass Spectrom. 28(11) , 1285-92, (2014) Clopidogrel (CLO) is a prodrug used to prevent ischemic events in patients undergoing percutaneous coronary intervention or with myocardial infarction. A previous study found ethyl clopidogrel (ECLO) ... |
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CYP-independent inhibition of platelet aggregation in rabbits by a mixed disulfide conjugate of clopidogrel.
Thromb. Haemost. 112(6) , 1304-11, (2014) Dual antiplatelet therapy with clopidogrel and aspirin has been the standard of care in the United States for patients with acute coronary syndromes (ACS) and/or undergoing percutaneous coronary inter... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Bromo-1-(3-methoxyphenyl)ethanone |
| 3'-Methoxyphenacyl BroMide |
| EINECS 225-666-1 |
| 2-Bromo-3‘-methoxyacetophenone |
| 3-(Bromoacetyl)Anisole |
| 2-Bromo-3′-methoxyacetophenone |
| MFCD00000199 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3'-methoxyphenacyl bromide have? |
| A: English synonyms of 3'-methoxyphenacyl bromide: 2-Bromo-1-(3-methoxyphenyl)ethanone, 3'-Methoxyphenacyl BroMide, EINECS 225-666-1, 2-Bromo-3‘-methoxyacetophenone, 3-(Bromoacetyl)Anisole, 2-Bromo-3′-methoxyacetophenone, MFCD00000199. |
| Q: What is the SMILES notation of 3'-methoxyphenacyl bromide? |
| A: SMILES notation of 3'-methoxyphenacyl bromide is COc1cccc(C(=O)CBr)c1. |
| Q: What is the molecular weight of 3'-methoxyphenacyl bromide? |
| A: Molecular weight of 3'-methoxyphenacyl bromide is 229.071. |
| Q: What are the storage conditions for 3'-methoxyphenacyl bromide? |
| A: Storage conditions for 3'-methoxyphenacyl bromide: 0-6°C. |
| Q: What is the boiling point of 3'-methoxyphenacyl bromide? |
| A: Boiling point of 3'-methoxyphenacyl bromide is 278.1±15.0 °C at 760 mmHg. |
| Q: What is the CAS number of 3'-methoxyphenacyl bromide? |
| A: CAS number of 3'-methoxyphenacyl bromide is 5000-65-7. |
| Q: What is the safety information for 3'-methoxyphenacyl bromide? |
| A: Safety information for 3'-methoxyphenacyl bromide: S26-S27-S28-S36/37/39-S45. |
| Q: What is the molecular formula of 3'-methoxyphenacyl bromide? |
| A: Molecular formula of 3'-methoxyphenacyl bromide is C9H9BrO2. |
| Q: What is the English name of 3'-methoxyphenacyl bromide? |
| A: The English name of 3'-methoxyphenacyl bromide is 3'-methoxyphenacyl bromide. |
| Q: What is the polar surface area (PSA) of 3'-methoxyphenacyl bromide? |
| A: Polar surface area (PSA) of 3'-methoxyphenacyl bromide is 26.30000. |
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. |