2-Bromoresorcinol

CAS NO.：6751-75-3
Empirical Formula: C6H5BrO2
Molecular Weight: 189.01
MDL number: MFCD07779241
SAFETY DATA SHEET (SDS)
Update Date: 2024-01-25 16:49:20

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.