2-Bromoresorcinol
- CAS NO.：6751-75-3
- Empirical Formula: C6H5BrO2
- Molecular Weight: 189.01
- MDL number: MFCD07779241
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:23:57
What is 2-Bromoresorcinol?
Properties and Applications
The cyclocondensation of 2-bromoresorcinol with some aldehydes proceeds in acetonitrile-CF3SO3H to give cyclic tetramers with high stereoselectivity. 2-bromoresorcinol, C6H5BrO2, are essentially planar and possess normal geometrical parameters. The crystal packing is influenced by O-H...O and O-H...O/Br hydrogen bonds and pi-pi stacking interactions, resulting in a distinctive high-symmetry structure containing R(4)(4)(8) rings and helical C(2) chains[1-2].
References
[1] Peter Kirsop, William T A Harrison, John M D Storey. “1-Bromo-2,6-dihydroxybenzene containing R(4)(4)(8) rings and C(2) helices.” Acta crystallographica. Section C, Crystal structure communications 60 Pt 5 (2004): o353-5.
[2] Osamu Morikawa. “Trifluoromethanesulfonic acid-catalyzed synthesis of resorcinarenes: Cyclocondensation of 2-bromoresorcinol with aldehydes.” Synthesis-Stuttgart 40 1 (2002): 761–765.
Properties of 2-Bromoresorcinol
| Melting point: | 96-103℃ |
| Boiling point: | 235.3±20.0℃ (760 Torr) |
| Density | 1.844±0.06 g/cm3 (20 ºC 760 Torr) |
| Flash point: | 96.1±21.8℃ |
| storage temp. | 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystaline |
| pka | 7.91±0.10(Predicted) |
| color | White to Yellow to Orange |
| InChI | InChI=1S/C6H5BrO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H |
Safety information for 2-Bromoresorcinol
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Bromoresorcinol
| InChIKey | UOLPZAPIFFZLMF-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=CC(O)=C1Br |
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