methyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
structural formula
| business number | 07er |
|---|---|
| molecular formula | c9h8br2o4 |
| molecular weight | 339.98 |
| label |
3,5-dibromo-2,4-dihydroxy-6-methylbenzoic acid methyl ester, aromatic compounds |
numbering system
cas number:715-33-3
mdl number:mfcd00082715
einecs number:none
rtecs number:none
brn number:2116569
pubchem id:none
physical property data
1. characteristics: light yellow to brown solid.
2. density (g/ml,25/4℃): undetermined
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc):109 -111
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc,5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific optical 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. oil and water (octanol/log value of partition coefficient (water): undetermined
17. explosion limit (%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility: insoluble in water at room temperature.
toxicological data
none yet
ecological data
1, other harmful effects: this substance may be harmful to the environment, special attention should be paid to water bodies. span>
molecular structure data
1. molar refractive index: 61.99
2. molar volume（m3/ mol）：172.8
3. isotonic ratio（90.2k）：480.7
4. surface tension(dyne/cm)：59.8
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability:24.57
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.4
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 2
5. number of tautomers: 25
6. topological molecule polar surface area 66.8
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 248
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 heat, open flames, oxidants, decomposition produces co and hbr.
storage method
stored in a cool, dry, well-ventilated place, away from heat sources, sealed and protected from light.
synthesis method
none yet
purpose
none yet