Structural formula
| Business number | 01PE |
|---|---|
| Molecular formula | C2H4BrNO |
| Molecular weight | 137.98 |
| label |
N-bromoacetamide, NBA |
Numbering system
CAS number:79-15-2
MDL number:MFCD00037097
EINECS number:201-181-0
RTECS number:None
BRN number:969346
PubChem number:24278260
Physical property data
1. Physical property data
1. Properties: needle-like colorless to light yellow crystals
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL, air=1): Uncertain
4. Melting point (ºC): 102~105
5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain
7. Refractive index: Uncertain
8 . Flash point (ºC): Uncertain
9. Specific rotation (º): Uncertain
10. Autoignition point or ignition temperature (ºC): Uncertain
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11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ /mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Oil and water Log value of (octanol/water) partition coefficient: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V /V): Uncertain
19. Solubility: Soluble in hot water, soluble in ether and benzene.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 22.67
2. Molar volume (cm3/mol): 80.6
3. Isotonic specific volume (90.2K): 196.8
4. Surface tension (dyne/cm): 35.4
5. Polarizability (10-24cm3): 8.98
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 29.1
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 44.9
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
1. Unstable under heating. Its monohydrate precipitates from diethyl ether as rectangular light yellow flake crystals. Relative molecular weight 155.99. Melting point: 108~109℃. Slightly soluble in chloroform, soluble in cold water, ethanol and ether.
2.Sensitive to light and soluble in hot water. Dangerous when heated and decomposed.
Storage method
This product should be sealed and stored in a cool, dark place.
Synthesis method
Treat the solution of acetamide and bromine at 0 to 5°C with cold 50% potassium hydroxide solution, let it stand at 0 to 5°C for 2 to 3 hours, treat it with sodium chloride, filter, and extract with chloroform , the extraction phase is distilled under reduced pressure to recover chloroform, crystallized, filtered and dried.
Remarks: unstable under heating. Its monohydrate precipitates from diethyl ether as rectangular light yellow flake crystals. Relative molecular weight 155.99. Melting point: 108~109℃. Slightly soluble in chloroform, soluble in cold water, ethanol and ether.
Purpose
1. Organic synthesis brominating agent, amidating agent; oxidizing agent for primary and secondary alcohols; pesticide intermediates; organic synthesis catalyst.
2.Uses as oxidizing agent and oxidizing agent. The bromine in it can obtain the hydrogen on the side chain of the aromatic ring and the alpha position of the olefinic bond, but with N-Ausuccinimide is different in that it generates a trans bromide product. Oxidation of secondary alcohols to ketones. In solvents containing trace amounts of water, it will be added to the olefinic bond in the form of osmotic acid.
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