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2-Bromoresorcinol

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2-Bromoresorcinol Basic information

Product Name:
2-Bromoresorcinol
Synonyms:
  • 2-BroMo-1,3-benzenediol
  • 2-BroMo-1,3-dihydroxybenzene
  • 2-Bromoresorcinol 95%
  • 1,3-Benzenediol, 2-bromo-
  • 2-bromobenzene-1,3-diol
  • 2-Bromoresorcinol
CAS:
6751-75-3
MF:
C6H5BrO2
MW:
189.01
Product Categories:
  • Alcohols
  • Aryl
  • Building Blocks
  • C2 to C6
  • C6
  • Chemical Synthesis
  • Halogenated Hydrocarbons
  • New Products for Chemical Synthesis
  • Organic Building Blocks
  • Oxygen Compounds
Mol File:
6751-75-3.mol
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2-Bromoresorcinol Chemical Properties

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
InChIKey
UOLPZAPIFFZLMF-UHFFFAOYSA-N
SMILES
C1(O)=CC=CC(O)=C1Br
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Safety Information

Hazard Codes 
Xn
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-37/39
WGK Germany 
3
HS Code 
2908190090
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2-Bromoresorcinol Usage And Synthesis

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.

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