4-Bromo-N,N-dimethylaniline
Structural formula
| Business number | 05YS |
|---|---|
| Molecular formula | C8H10BRN |
| Molecular weight | 200.08 |
| label |
p-bromodimethylaniline, N,N-dimethyl-p-bromoaniline, P-Bromo-2-methyl aniline, N, N-methyl-2-bromo-aniline, pharmaceutical intermediates, Aniline compounds, Aromatic amines and nitro compounds, Nitrogen-containing compounds |
Numbering system
CAS number:586-77-6
MDL number:MFCD0000093
EINECS number:209-582-2
RTECS number:BW9300000
BRN number:2206155
PubChem number:24850266
Physical property data
1. Character:Foliated crystals. Sensitive to light. 2. Density (g/mL,25/4 ℃): Undetermined 3. Relative vapor density (g/mL,air=1): Undetermined 4. Melting point (ºC ): 55 5. Boiling point (ºC,Normal pressure): 264 6. Boiling point (ºC,5.2kPa): Undetermined 7. Refractive Index: Undetermined 8. Flash point (ºC): Undetermined 9. Specific rotation (º): Undetermined 10. Autoignition point or ignition temperature (ºC): Undetermined 11. Vapor pressure (kPa,25ºC): Undetermined Molar refractive index:
2, Molar volume (m3/mol):143.6
3, Isotonic specific volume (90.2K ): 359.7
4, Surface tension (dyne/ cm): 39.3
5、 Polarizability (10-24cm3): 19.13
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: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 3.2
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 95.4
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
Stability and reactivity:
Materials to avoid: Oxides.
Products to be decomposed: carbon monoxide and carbon dioxide, hydrogen bromide.
Storage method
This product should be sealed and stored away from light.
Synthesis method
None yet
Purpose
Organic synthesis.
2 id=”js”>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: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 3.2
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 95.4
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
Stability and reactivity:
Materials to avoid: Oxides.
Products to be decomposed: carbon monoxide and carbon dioxide, hydrogen bromide.
Storage method
This product should be sealed and stored away from light.
Synthesis method
None yet
Purpose
Organic synthesis.
