Structural formula
| Business number | 052D |
|---|---|
| Molecular formula | C14H10O4 |
| Molecular weight | 242.23 |
| label |
2,2′-biphenyldicarboxylic acid, diphenic acid, (1,1′-Biphenyl)-2,2′-dicarboxylic acid, 2,2′-Biphenyldicarboxylic acid |
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.
