2-Chloropyrimidine-5-boronic acid
CAS No.:
1003845-06-4
M. Wt:
158.351
M. Fa:
C4H4BClN2O2
InChI Key:
YTCIHPTZKKWKKC-UHFFFAOYSA-N
Appearance:
off-white solid
Names and Identifiers of 2-Chloropyrimidine-5-boronic acid
CAS Number |
1003845-06-4 |
|---|---|
EC Number |
695-338-4 |
MDL Number |
MFCD08063113 |
IUPAC Name |
(2-chloropyrimidin-5-yl)boronic acid |
InChI |
InChI=1S/C4H4BClN2O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H |
InChIKey |
YTCIHPTZKKWKKC-UHFFFAOYSA-N |
Canonical SMILES |
B(C1=CN=C(N=C1)Cl)(O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-Chloropyrimidine-5-boronic acid
Acidity coefficient |
5.03±0.11(Predicted) |
|---|---|
Appearance of Characters |
Powder | White |
Boiling Point |
425.4±37.0 °C at 760 mmHg |
Density |
1.5±0.1 g/cm3 |
Exact Mass |
158.005432 |
Flash Point |
211.1±26.5 °C |
Index of Refraction |
1.561 |
LogP |
-0.27 |
Melting Point |
200°C |
Molecular Formula |
C4H4BClN2O2 |
Molecular Weight |
158.351 |
PSA |
66.24000 |
Storage condition |
under inert gas (nitrogen or Argon) at 2–8 °C |
Vapour Pressure |
0.0±1.1 mmHg at 25°C |
Safety Information of 2-Chloropyrimidine-5-boronic acid
Applications of 2-Chloropyrimidine-5-boronic acid
2-Chloropyrimidine-5-boronic acid is widely used in:
- Organic Synthesis: It serves as a crucial intermediate for creating complex organic molecules.
- Pharmaceutical Development: Its derivatives are explored for potential therapeutic applications due to their biological activity.
- Material Science: It may also find applications in developing new materials or polymers that incorporate boron into their structure.
Interaction Studies of 2-Chloropyrimidine-5-boronic acid
Interaction studies involving 2-chloropyrimidine-5-boronic acid primarily focus on its role in catalysis and its interactions with various reagents during chemical transformations. Its ability to participate in multiple reaction types makes it an essential compound for studying reaction mechanisms and optimizing synthetic pathways. Further studies could explore its interactions with biomolecules to assess its potential pharmacological effects.
Physical sample testing spectrum (NMR) of 2-Chloropyrimidine-5-boronic acid
Cas:32779-36-5
Cas:5419-55-6
