4-Bromoacetanilide 4-Bromoacetanilide
Structural formula
| Business number | 02PE |
|---|---|
| Molecular formula | C8H8BrNO |
| Molecular weight | 214.06 |
| label |
p-bromoacetanilide, Acetyl p-bromoaniline, 4-Bromoacetanilide, 4′-bromophenylacetanilide, N-acetyl p-bromoaniline, p-bromoacetamide benzene, P-Acetamidophenyl bromide, P-Bromoacetanilide, N-Acetyl-4-bromoaniline, N-Acetyl-p-bromoaniline, N-(4-Bromo-phenyl)-acetamide, 1-(N-Acetylamino)-4-bromobenzene, 1-Bromo-4-acetamidobenzene, 4’-Bromo-acetanilid |
Numbering system
CAS number:103-88-8
MDL number:MFCD00000092
EINECS number:203-154-9
RTECS number:AD9625000
BRN number:2208091
PubChem number:24849944
Physical property data
1. Properties: light yellow crystal or powder.
2. Density (g/mL, 25/4℃): 1.72
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 168℃ (soften first)
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa ): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
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) partition coefficient: Undetermined
17. Explosion Upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in benzene, chloroform and Ethyl acetate is slightly soluble in ethanol, slightly soluble in hot water, and almost insoluble in cold water.
Toxicological data
Acute toxicity: Rat oral LD: >500mg/kg;Mouse peritoneal cavity LD50: 250mg/kg;
Ecological data
Usually not harmful to water.
Molecular structure data
1. Molar refractive index: 48.21
2. Molar volume (cm3/mol): 138.7
3. Isotonic specific volume (90.2K ): 361.5
4. Surface tension (dyne/cm): 46.1
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 19.11
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Topological molecule polar surface area 29.1
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 141
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
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
It is obtained by bromination of acetanilide. Dissolve acetanilide in ethanol, cool to about 10℃, slowly add bromine, control the temperature at 20-25℃, complete the addition in about 1.5-2h, stir for another 0.5h, leave it for one day, and then pour into the sodium bisulfite solution medium, filtered, washed with water, and then recrystallized with ethanol to obtain the finished product.
Purpose
Organic synthesis intermediates.
