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
