4-Hydroxyisophthalic acid

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:636-46-4

MDL number:MFCD00010391

EINECS number:211-258-0

RTECS number:NT2544000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white solid.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): 6.3

4. Melting point (ºC): 316

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. ASH 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 upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Easily soluble in water.

Toxicological data

None yet

Ecological data

Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 41.99

2. Molar Volume (m³/mol）：112.9

3. Isotonic specific volume (90.2K):346.5

4. Surface Tension (dyne/cm):88.6

5. Polarizability（10^-24cm³):16.64

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 6

6. Topological molecule polar surface area 94.8

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 225

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

Keep away from oxides and strong alkalis.

Storage method

Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet