methyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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