3-(Trifluoromethyl)phenacyl bromide
- CAS No.
- 2003-10-3
- Chemical Name:
- 3-(Trifluoromethyl)phenacyl bromide
- Synonyms
- BUTTPARK 35\01-54;3-(Trifluoromethyl)phenacyl bromide;2-Bromo-3'-(trifluoromethyl)acetophenone;3-(Trifluoromethyl)phenacyl bromide (267);2-Bromo-3'-(trifluoromethyl)acetophenone,98%;2-BROMO-1-(3-TRIFLUOROMETHYL-PHENYL)-ETHANONE;Ethanone, 2-bromo-1-[3-(trifluoromethyl)phenyl]-;2-bromo-1-[3-(trifluoromethyl)phenyl]ethan-1-one;2-BROMO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1-ETHANONE;2-Bromo-1-(3-(trifluoromethyl)phenyl)ethanone ,97%
- CBNumber:
- CB7429963
- Molecular Formula:
- C9H6BrF3O
- Molecular Weight:
- 267.04
- MDL Number:
- MFCD03094283
- MOL File:
- 2003-10-3.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 22°C |
|---|---|
| Boiling point | 64-72°C |
| Density | 1.592±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | liquid |
| color | Colourless |
| CAS DataBase Reference | 2003-10-3(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | C | |||||||||
| Risk Statements | 34 | |||||||||
| Safety Statements | 26-36/37/39-45 | |||||||||
| RIDADR | 1760 | |||||||||
| Hazard Note | Corrosive | |||||||||
| HazardClass | 8 | |||||||||
| HS Code | 2914790090 | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
3-(Trifluoromethyl)phenacyl bromide price More Price(55)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Apolloscientific | PC5383 | 3-(Trifluoromethyl)phenacyl bromide ≥95% | 2003-10-3 | 100mg | $21 | 2026-06-04 | Buy |
| Apolloscientific | PC5383 | 3-(Trifluoromethyl)phenacyl bromide ≥95% | 2003-10-3 | 25g | $191 | 2026-06-04 | Buy |
| Apolloscientific | PC5383 | 3-(Trifluoromethyl)phenacyl bromide ≥95% | 2003-10-3 | 100g | $732 | 2026-06-04 | Buy |
| Activate Scientific | AS41799 | 2-Bromo-1-(3-(trifluoromethyl)phenyl)ethanone 98% | 1g | $41 | 2026-06-04 | Buy | |
| Activate Scientific | AS41799 | 2-Bromo-1-(3-(trifluoromethyl)phenyl)ethanone 98% | 5g | $71 | 2026-06-04 | Buy |
3-(Trifluoromethyl)phenacyl bromide Chemical Properties, Uses, Production
Uses
2-Bromo-1-(3-(trifluoromethyl)phenyl)ethyl ketone is a trifluoromethoxylated compound with high membrane permeability, anti-metabolic stability, affinity for lipid membranes, thermal stability, and chemical stability, and is widely used in the pharmaceutical and chemical industries.
Synthesis
349-76-8
2003-10-3
The general procedure for the synthesis of 2-bromo-1-(3-(trifluoromethyl)phenyl)ethanone from 3-(trifluoromethyl)acetophenone was as follows: to a toluene solution (423 mL) of 3-(trifluoromethyl)acetophenone (79.6 g, 0.423 mol) was slowly added pyridinium perbromide (135.4 g, 0.423 mol) under ice-bath cooling conditions. The reaction mixture was stirred for 5 hours, during which time it was allowed to warm up naturally to room temperature. Upon completion of the reaction, the reaction solution was again cooled in an ice bath, followed by slow dropwise addition of distilled water (400 mL) to quench the reaction. Next, the toluene layer was washed with saturated aqueous sodium bicarbonate (400 mL), followed by drying the organic phase with anhydrous magnesium sulfate. The dried organic phase was concentrated under reduced pressure and then purified by reduced pressure distillation to afford the target product 2-bromo-1-(3-(trifluoromethyl)phenyl)ethanone (92.35 g, 81.7% yield). The product was characterized by 1H-NMR (200 MHz, TMS, CDCl3): δ 4.46 (2H, s), 7.66 (1H, brt, J = 7.9 Hz), 7.88 (1H, brd, J = 7.6 Hz), 8.19 (1H, brd, J = 5.5 Hz), 8.25 (1H, brs). The boiling point was 92°C/3 mmHg.
References
[1] Journal of Medicinal Chemistry, 1995, vol. 38, # 1, p. 34 - 41
[2] Journal of Organic Chemistry, 1980, vol. 45, # 24, p. 4989 - 4990
[3] Journal fuer Praktische Chemie/Chemiker-Zeitung, 1998, vol. 340, # 7, p. 649 - 655
[4] Journal of Medicinal Chemistry, 2014, vol. 57, # 15, p. 6572 - 6582
[5] Patent: EP1571148, 2005, A1. Location in patent: Page/Page column 28
3-(Trifluoromethyl)phenacyl bromide Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Shanghai Sinch Parmaceuticals Tech. Co. Ltd. | +86-21-54098501 | sales@sinch.com.cn | China | 11592 | 64 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Shanghai Harvest Chemical Industrial Co., Ltd. | 15721252604 17321035817 | sales@harvest-chem.com | China | 2829 | 64 |
| Shanghai yirong biology science and technology co., ltd | 18049974220 | 3060526242@qq.com | China | 999 | 60 |
| Chengdu HappySyn Pharmaceutical Technology Co., Ltd. | 85114309 18982182443 | yangli@happysyn.com | China | 2283 | 55 |
| Thermo Fisher Scientific | 800-810-5118 | cnchemical@thermofisher.com | China | 17752 | 75 |
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