4-bromobenzene-1,3-diol
4-Bromoresorcinol
CAS: 6626-15-9
Molecular Formula: C6H5BrO2
4-bromobenzene-1,3-diol - Names and Identifiers
| Name | 4-Bromoresorcinol |
| Synonyms | Bromoresorcinol 4-Bromoresorcinol 4-BROMORESORCINOL Resorcinol, 4-bromo- 4-Bromo-1,3-benzenediol 4-bromobenzene-1,3-diol 2,4-Dihydroxybromobenzene 1,3-Benzenediol, 4-bromo- 4-Bromo-1,3-dihydroxybenzene 4-BROMO-1,3-DIHYDROXYBENZENE 1-BROMO-2,4-DIHYDROXYBENZENE |
| CAS | 6626-15-9 |
| EINECS | 229-586-8 |
| InChI | InChI=1/C6H5BrO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H |
| InChIKey | MPCCNXGZCOXPMG-UHFFFAOYSA-N |
4-bromobenzene-1,3-diol - Physico-chemical Properties
| Molecular Formula | C6H5BrO2 |
| Molar Mass | 189.01 |
| Density | 1.5555 (rough estimate) |
| Melting Point | 97-100 °C (lit.) |
| Boling Point | 150 °C/12 mmHg (lit.) |
| Flash Point | 136.8°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 0.000545mmHg at 25°C |
| Appearance | White powder |
| Color | Pink |
| pKa | 8.22±0.10(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Sensitive | `sensitive` to heat, light and air |
| Refractive Index | 1.4925 (estimate) |
| MDL | MFCD00002272 |
4-bromobenzene-1,3-diol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29089990 |
4-bromobenzene-1,3-diol - Reference Information
| application | 4-bromoresorcinol is an organic intermediate, which can be obtained by bromination of resorcinol as raw material. The brominating reagent can be selected from N-bromosuccinimide or NH4Br. |
| preparation | using resorcinol as raw material, first add resorcinol to the reaction container, then add chloroform to dissolve, after dissolution, the N-bromosuccinimide solution obtained by dissolving N-bromosuccinimide in chloroform is added dropwise to the reaction container, the dropping time of N-bromosuccinimide solution is 30min. After dropping, the temperature is raised to 60 ℃. Under this temperature condition, the reaction solution is reacted for 1h. After reaction, the reaction solution is evaporated out of chloroform at normal pressure. After evaporating out of chloroform, the liquid obtained after evaporating out of chloroform is distilled under reduced pressure. Fractions at 150-160 ℃ are collected under vacuum degree of 0.098MPa, and the resulting fraction is cooled to normal temperature to obtain 4-bromoresorcinol. |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
Last Update：2024-06-04 11:19:19
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