5-Bromo-4-chloro-2-methylpyridine
CAS No.:
1003711-85-0
M. Wt:
206.468
M. Fa:
C6H5BrClN
InChI Key:
HQIJNBFVJKFOAS-UHFFFAOYSA-N
Appearance:
Pale-yellow Liquid
Names and Identifiers of 5-Bromo-4-chloro-2-methylpyridine
CAS Number |
1003711-85-0 |
|---|---|
EC Number |
869-981-8 |
MDL Number |
MFCD09839296 |
IUPAC Name |
5-bromo-4-chloro-2-methylpyridine |
InChI |
InChI=1S/C6H5BrClN/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3 |
InChIKey |
HQIJNBFVJKFOAS-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=C(C=N1)Br)Cl |
UNSPSC Code |
12352100 |
Physical and chemical properties of 5-Bromo-4-chloro-2-methylpyridine
Acidity coefficient |
2.76±0.10(Predicted) |
|---|---|
Boiling Point |
223.0±35.0 °C at 760 mmHg |
Density |
1.6±0.1 g/cm3 |
Exact Mass |
204.929382 |
Flash Point |
88.7±25.9 °C |
Index of Refraction |
1.571 |
LogP |
2.57 |
Molecular Formula |
C6H5BrClN |
Molecular Weight |
206.468 |
PSA |
12.89000 |
Storage condition |
Inert atmosphere,2-8°C |
Vapour Pressure |
0.1±0.4 mmHg at 25°C |
Safety Information of 5-Bromo-4-chloro-2-methylpyridine
Applications of 5-Bromo-4-chloro-2-methylpyridine
5-Bromo-4-chloro-2-methylpyridine finds utility in various fields:
- Pharmaceutical Intermediate: It serves as a building block for synthesizing pharmaceutical compounds.
- Organic Synthesis: This compound is used in producing nitrogen-containing heterocycles, which are prevalent in medicinal chemistry.
- Agricultural Chemicals: It may be involved in the synthesis of pesticides and herbicides due to its reactivity.
Interaction Studies of 5-Bromo-4-chloro-2-methylpyridine
Interaction studies involving 5-Bromo-4-chloro-2-methylpyridine focus on its reactivity with various nucleophiles and electrophiles. Research indicates that this compound can interact effectively with thiols and amines in palladium-catalyzed coupling reactions, which are crucial for developing complex organic molecules. Additionally, studies suggest potential interactions with biological targets that could lead to therapeutic applications.
Physical sample testing spectrum (NMR) of 5-Bromo-4-chloro-2-methylpyridine
