| Company Name: |
Ark Pharm, Inc. |
| Tel: |
847-367-3680 |
| Email: |
sales@arkpharminc.com |
|
| | 3,5-Dibromophenol Basic information |
| | 3,5-Dibromophenol Chemical Properties |
| Melting point | 79-83 °C (lit.) | | Boiling point | 122°C/3mmHg(lit.) | | density | 1.8854 (rough estimate) | | refractive index | 1.5380 (estimate) | | storage temp. | Inert atmosphere,Room Temperature | | form | powder to crystal | | pka | pK1:8.056 (25°C) | | color | White to Light yellow to Light orange | | Water Solubility | Sightly soluble in water. Soluble in methanol. | | InChI | 1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H | | InChIKey | PZFMWYNHJFZBPO-UHFFFAOYSA-N | | SMILES | Oc1cc(Br)cc(Br)c1 |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-36/37/38 | | Safety Statements | 26-36 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | Hazard Note | Irritant/Keep Cold | | HazardClass | 6.1 | | PackingGroup | Ⅲ | | HS Code | 29081990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,5-Dibromophenol Usage And Synthesis |
| Chemical Properties | White to brown solid | | Uses | 3,5-Dibromophenol is used as a pharmaceutical intermediate. It is also used to prepare aromatic polyesters and drugs for arthritis. | | Synthesis | General procedure for the synthesis of 3,5-dibromophenol from 3,5-dibromoanisole: 3,5-dibromoanisole (15.57 g, 58.5 mmol) and tetrabutylammonium bromide (1.0 g, 3.1 mmol) were suspended in 48% hydrobromic acid solution (100 mL), and heated to reflux for 3 days. After the reaction was completed, it was cooled to room temperature and the reaction mixture was extracted with dichloromethane (3 x 60 mL). The organic layers were combined, washed with water, dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: ethyl acetate/heptane, 10:1, v/v). After removal of the solvent, 14.23 g (97% yield) of 3,5-dibromophenol was obtained as light brown needle-like crystals. | | References | [1] Journal of Organic Chemistry, 2004, vol. 69, # 25, p. 8982 - 8983
[2] Patent: US2006/270686, 2006, A1. Location in patent: Page/Page column 35
[3] Journal of Medicinal Chemistry, 2011, vol. 54, # 1, p. 179 - 200
[4] Patent: US2008/280891, 2008, A1. Location in patent: Page/Page column 35
[5] Patent: WO2008/8059, 2008, A1. Location in patent: Page/Page column 96 |
| | 3,5-Dibromophenol Preparation Products And Raw materials |
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