2,2′-biphenyldicarboxylic 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:482-05-3

MDL number:MFCD00002464

EINECS number:207-576-4

RTECS number:None

BRN number:2053625

PubChem ID:None

Physical property data

1. Density (g/m³, 25/4℃): Undetermined

2. Relative steam density (g/cm³, Air=1): Undetermined

3. Melting point (ºC): 233

4. Boiling point (ºC, normal pressure): Undetermined

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

6. Refractive index: Undetermined

7. Flash point (ºC): Undetermined

8. Specific rotation (º): Not determined

9. Autoignition point or ignition temperature (ºC): Not determined

10. Vapor pressure (kPa, 25ºC): Not determined Determined

11. Saturated vapor pressure (kPa, 60ºC): Undetermined

12. Heat of combustion (KJ/mol): Undetermined

13. Critical Temperature (ºC): Undetermined

14. Critical pressure (KPa): Undetermined

15. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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16. Explosion upper limit (%, V/V): Undetermined

17. Explosion lower limit (%, V/V): Undetermined

18. Dissolution Properties: Hardly soluble in water

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 64.70

2. Molar volume (cm³/mol): 179.7

3. Isotonic specific volume (90.2K ): 504.8

4. Surface tension (dyne/cm): 62.2

5. Polarizability (10^-24cm³): 25.65

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 74.6

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 294

10. Isotopes Number of atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14, Number of uncertain chemical bond stereocenters: 0

15, Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Seal and store in a ventilated, dry place to avoid contact with other oxides.

Synthesis method

Originated from the oxidation of phenanthrene.

Purpose

This product has the chemical reactivity of aromatic dibasic acids and can generate acid anhydrides, esters, imides, amides and oxychlorides. The compound has properties such as heat resistance, cold resistance, alkali resistance, hydrophobicity, weather resistance, and radiation resistance. In addition to being used as a modifier for resin raw materials and engineering plastics, a special coating modifier, and a fiber modifier, In addition to special plasticizers, pressure-sensitive adhesive coating modifiers, fiber modifiers, special plasticizers, and pressure-sensitive adhesive modifiers, it can also be used as rust inhibitors, medicines, dyes, pigments, and pesticides. of raw materials. Because coal tar is rich in phenanthrene resources, bibenzoic acid has certain application potential.