Structural formula
| Business number | 02YJ |
|---|---|
| Molecular formula | C5H4BrN |
| Molecular weight | 158.00 |
| label |
α-bromoazepine, Alpha-bromopyridine, o-bromopyridine, 2-Bromo-pyridin, 2-Pyridylbromide, beta-Bromopyridine, -Bromoazine, -Bromopyridine, o-Bromopyridine, Pyridine,2-bromo-, TIMTEC-BB SBB003999 |
Numbering system
CAS number:109-04-6
MDL number:MFCD00006219
EINECS number:203-641-6
RTECS number:US3850000
BRN number:105789
PubChem number:24892038
Physical property data
1. Properties: light yellow oily liquid. The color gradually becomes darker after being left for a long time or exposed to light.
2. Density (g/mL, 25/4℃): 1.627
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 195
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: 1.5714
8. Flash point (ºC): 54
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa , 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15 . Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V ): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol, ether, slightly soluble in water.
Toxicological data
1. Acute toxicity: mouse intraperitoneal LDLo: 31300μg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 32.03
2. Molar volume (cm3/mol): 98.8
3. Isotonic specific volume (90.2K ): 251.9
4. Surface tension (dyne/cm): 42.1
5. Polarizability (10-24cm3): 12.69
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 12.9
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 56
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
This product should be kept sealed, dry and protected from light.
Synthesis method
It is obtained by bromination of 2-aminopyridine. In industrial production, hydrobromic acid (more than 48%) is first cooled to below 0°C, 2-aminopyridine is slowly added, and then liquid bromine is added dropwise under salt bath freezing. The addition speed is to control the reaction temperature below -5°C. As appropriate. After the addition, add sodium nitrite aqueous solution dropwise, control the reaction temperature below 0°C, stir for 20-30 minutes, add 50% sodium hydroxide solution dropwise, extract the reaction solution with ether, wash with water, dry with anhydrous sodium sulfate, filter, and recover Diethyl ether, the residue is distilled under reduced pressure, and the 88°C-94°C/3333Pa fraction is collected to obtain the finished product with a yield of 83.8%. 
Purpose
Organic synthesis, pharmaceutical intermediates. In the pharmaceutical industry, it is used to synthesize the heart disease drug disopyramide (disopyramide phosphate), etc.
