3'-Bromopropiophenone
3'-Bromopropiophenone structure
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Common Name | 3'-Bromopropiophenone | ||
|---|---|---|---|---|
| CAS Number | 19829-31-3 | Molecular Weight | 213.071 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 271.0±23.0 °C at 760 mmHg | |
| Molecular Formula | C9H9BrO | Melting Point | 39-41 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 79.6±9.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(3-bromophenyl)propan-1-one |
|---|---|
| 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 | 271.0±23.0 °C at 760 mmHg |
| Melting Point | 39-41 °C(lit.) |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.071 |
| Flash Point | 79.6±9.9 °C |
| Exact Mass | 211.983673 |
| PSA | 17.07000 |
| LogP | 3.11 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.545 |
| InChIKey | QSHLXVTVXQTHBS-UHFFFAOYSA-N |
| SMILES | CCC(=O)c1cccc(Br)c1 |
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;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2914700090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3'-Bromopropiop... CAS#:19829-31-3 |
| Literature: Journal of Organic Chemistry, , vol. 41, p. 2368 - 2372 |
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3'-Bromopropiop... CAS#:19829-31-3 |
| Literature: Journal of the Chemical Society, , p. 358,359 Journal of the Chemical Society, , p. 1110,1111 Journal of the Chemical Society, , p. 1128,1131 Journal of Organic Chemistry, , vol. 11, p. 444,447 |
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3'-Bromopropiop... CAS#:19829-31-3 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 1 p. 1 - 6 |
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3'-Bromopropiop... CAS#:19829-31-3 |
| Literature: Journal of Organic Chemistry, , vol. 23, p. 1412,1217 Org. Synth. Coll. Vol. V, <1973> 117, 120 |
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3'-Bromopropiop... CAS#:19829-31-3 |
| Literature: Chinese Journal of Chemistry, , vol. 30, # 6 p. 1289 - 1294 |
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3'-Bromopropiop... CAS#:19829-31-3 |
| Literature: Journal of Organic Chemistry, , vol. 41, p. 2368 - 2372 |
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3'-Bromopropiop... CAS#:19829-31-3 |
| Literature: European Journal of Pharmaceutical Sciences, , vol. 43, # 5 p. 386 - 392 |
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3'-Bromopropiop... CAS#:19829-31-3 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 1 p. 1 - 6 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
CAS#:51772-30-6
CAS#:2415-93-2
CAS#:2416-02-6
CAS#:22071-15-4
CAS#:74380-71-5
CAS#:103528-31-0
CAS#:174702-59-1
CAS#:72563-47-4
CAS#:73275-86-2This 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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Straightforward Syntheses of the Three Possible Isomers of (±)-2-[3-(Hydroxybenzoyl) phenyl] propanoic Acid, Metabolites of (±)-Ketoprofen. Camps P and Farrés X.
Synth. Commun. 25(24) , 3931-38, (1995)
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Novel aminopropiophenones as potential antidepressants. Foley KF and Cozzi NV.
Drug Dev. Res. 60(4) , 252-260, (2003)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00000084 |
| 1-(3-Bromophenyl)-1-propanone |
| 1-(3-bromophenyl)propan-1-one |
| 3'-bromoacetophenone |
| 3'-Bromopropiophenone |
| EINECS 243-353-8 |
| 3-Bromophenyl Ethyl Ketone |
| 3-Bromopropiophenone |
| m-Bromopropiophenone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 1-(3-bromophenyl)propan-1-one? |
| A: Related upstream materials(CAS) of 1-(3-bromophenyl)propan-1-one: 1197-05-3;535-80-8;93-55-0;108-36-1;3132-99-8;74-96-4;6952-59-6;766-84-7. |
| Q: What is the polar surface area (PSA) of 1-(3-bromophenyl)propan-1-one? |
| A: Polar surface area (PSA) of 1-(3-bromophenyl)propan-1-one is 17.07000. |
| Q: What English synonyms does 1-(3-bromophenyl)propan-1-one have? |
| A: English synonyms of 1-(3-bromophenyl)propan-1-one: MFCD00000084, 1-(3-Bromophenyl)-1-propanone, 1-(3-bromophenyl)propan-1-one, 3'-bromoacetophenone, 3'-Bromopropiophenone, EINECS 243-353-8, 3-Bromophenyl Ethyl Ketone, 3-Bromopropiophenone, m-Bromopropiophenone. |
| Q: What is the CAS number of 1-(3-bromophenyl)propan-1-one? |
| A: CAS number of 1-(3-bromophenyl)propan-1-one is 19829-31-3. |
| Q: What is the InChIKey of 1-(3-bromophenyl)propan-1-one? |
| A: InChIKey of 1-(3-bromophenyl)propan-1-one is QSHLXVTVXQTHBS-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 1-(3-bromophenyl)propan-1-one? |
| A: SMILES notation of 1-(3-bromophenyl)propan-1-one is CCC(=O)c1cccc(Br)c1. |
| Q: What is the English name of 1-(3-bromophenyl)propan-1-one? |
| A: The English name of 1-(3-bromophenyl)propan-1-one is 1-(3-bromophenyl)propan-1-one. |
| Q: What is the safety information for 1-(3-bromophenyl)propan-1-one? |
| A: Safety information for 1-(3-bromophenyl)propan-1-one: S37/39-S26. |
| Q: What is the LogP of 1-(3-bromophenyl)propan-1-one? |
| A: LogP of 1-(3-bromophenyl)propan-1-one is 3.11. |
| Q: What is the molecular weight of 1-(3-bromophenyl)propan-1-one? |
| A: Molecular weight of 1-(3-bromophenyl)propan-1-one is 213.071. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |