3-Phenoxybromobenzene
- CAS No.
- 6876-00-2
- Chemical Name:
- 3-Phenoxybromobenzene
- Synonyms
- 1-Bromo-3-phenoxybenzene;PBDE 2;BDE No2;NSC 57095;PBDE No. 2;m-Phenoxybromobenzene;m-Bromophenoxybenzene;m-Bromodiphenyl ether;3-Phenoxybromobenzene;m-Phenoxyphenyl bromide
- CBNumber:
- CB7307267
- Molecular Formula:
- C12H9BrO
- Molecular Weight:
- 249.1
- MDL Number:
- MFCD00474520
- MOL File:
- 6876-00-2.mol
- MSDS File:
- SDS
| Boiling point | 200-203℃ (50 Torr) |
|---|---|
| Density | 1.3944 g/cm3 (20℃) |
| refractive index | 1.6076 (589.3 nm 20℃) |
| Flash point | >110℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Sparingly) |
| form | liquid |
| color | Colourless |
| Henry's Law Constant | 2.3×10-2 mol/(m3Pa) at 25℃, Long et al. (2017) |
| InChI | 1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H |
| InChIKey | AHDAKFFMKLQPTD-UHFFFAOYSA-N |
| SMILES | Brc1cccc(Oc2ccccc2)c1 |
| EWG's Food Scores | 1 |
| FDA UNII | 3W9N49713J |
| EPA Substance Registry System | PBDE 002 (6876-00-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS05,GHS07,GHS09 |
|---|---|
| Signal word | Danger |
| Hazard statements | H315-H317-H318-H335-H411 |
| Precautionary statements | P261-P264-P273-P280-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| Hazard Codes | Xi,N |
| Risk Statements | 37/38-41-43-51/53 |
| Safety Statements | 26-36/37/39-61 |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| RTECS | CY9040554 |
| Hazard Note | Irritant |
| HS Code | 2909303890 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Aquatic Chronic 2 Eye Dam. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
3-Phenoxybromobenzene price More Price(42)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 728969 | 3-Bromodiphenyl ether 97% | 6876-00-2 | 1g | $73.7 | 2026-04-30 | Buy |
| TCI Chemical | B6471 | 1-Bromo-3-phenoxybenzene min. 97.0 % | 6876-00-2 | 1G | $104 | 2026-04-30 | Buy |
| TCI Chemical | B6471 | 1-Bromo-3-phenoxybenzene min. 97.0 % | 6876-00-2 | 5G | $311 | 2026-04-30 | Buy |
| Apolloscientific | OR13134 | 3-Bromodiphenyl ether ≥95% | 6876-00-2 | 1g | $32 | 2026-06-04 | Buy |
| Apolloscientific | OR13134 | 3-Bromodiphenyl ether ≥95% | 6876-00-2 | 5g | $90 | 2026-06-04 | Buy |
3-Phenoxybromobenzene Chemical Properties, Uses, Production
Uses
1-Bromo-3-phenoxybenzene is part of a group of compounds called polybrominated diphenyl ethers. 1-Bromo-3-phenoxybenzene, along with other similar compounds, are widely used in industry as brominated flame retardants. Unfortunately, with their release into the environment, they pose significant hazards to the humans and wildlife that live in surrounding areas. 1-Bromo-3-phenoxybenzene is also known to induce toxic effects on the central nervous system, the liver, and kidneys in rats.
Synthesis
108-36-1
108-95-2
6876-00-2
Example 6 Synthesis of 1-bromo-3-phenoxybenzene (A): a mixture of meso-dibromobenzene (3 g, 12.75 mmol), phenol (1 g, 10.6 mmol), copper(I) oxide (152 mg, 1 mmol), and cesium carbonate (3.46 g, 10.6 mmol) was dissolved in 8 mL of N-methylpyrrolidone (NMP). The reaction mixture was microwaved at 195 °C for 20 min. Upon completion of the reaction, the non-homogeneous mixture was filtered through a bed of diatomaceous earth and the residue was washed with ethyl acetate (EtOAc, 1 × 20 mL). The filtrate was diluted with 1N sodium hydroxide solution (200 mL) and subsequently extracted with ethyl acetate (3 × 100 mL). The organic phases were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to give the crude product as a yellow oil. The crude product was purified by column chromatography (100% hexane as eluent) to afford 1-bromo-3-phenoxybenzene as a colorless oil (1.4 g, 53% yield).LCMS m/z 250 (M + 1).
References
[1] Patent: US2005/234042, 2005, A1. Location in patent: Page/Page column 25-26
[2] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 16, p. 5900 - 5905
[3] Patent: EP1489077, 2004, A1. Location in patent: Page 31
3-Phenoxybromobenzene Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Shanghai civi chemical technology co.,Ltd | 86-21-34053660 | sale@labgogo.com | China | 9853 | 52 |
| Wuhan Taiyicheng Biopharmaceutical Co., Ltd. | 027-88320699 | tycshyy@126.com | China | 297 | 66 |
| Thermo Fisher Scientific | 800-810-5118 | cnchemical@thermofisher.com | China | 17752 | 75 |
| Shanghai Jian Chao Chemical Technology Co., Ltd. | 150-2103-5486 18017383231 | 983544897@qq.com | China | 9336 | 55 |
| 9ding chemical ( Shanghai) Limited | 4009209199 | sales@9dingchem.com | China | 22497 | 55 |
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