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: 48.25
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.
