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