Diphenylmethane Diphenylmethane

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:101-81-5

MDL number:MFCD00004781

EINECS number:202-978-6

RTECS number:PA8990000

BRN number:1904982

PubChem number:24854401

Physical property data

1. Properties: colorless needle-shaped crystals with scent of geranium-sweet orange.

2. Density (g/mL, 20℃): 1.01 (liquid); 1.34 (solid)

3. Relative density (d²⁶₄₎ : 1.001

4. Melting point (ºC): 26.5

5. Boiling point (ºC, normal pressure): 265

6. Boiling point (ºC, 0.1mmHg):

7. Refractive index (n/20D): 1.5753

8. Flash point (ºC): 130

9. Relative density (25℃, 4℃): 0.1008²⁷

10. Refractive index at room temperature (n²⁵): 1.5752 ^d

11. Vapor pressure (mmHg, 77ºC): <1

12. Critical temperature (K): 486.85

13. Critical Pressure (MPa): 2.71

14. Critical density (g·cm^-3): 0.299

15. Critical volume (cm³ ·mol^-1): 563

16. Critical compression factor: 0.241

17. Eccentricity factor: 0.462

18. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -6920.25

19. Solubility: insoluble in water, soluble in ethanol and ether , chloroform and other organic solvents.

20. Solubility parameter (J·cm^-3)^0.5: 19.415

21. van der Waals area ( cm²·mol^-1): 1.042×10¹⁰

22. van der Waals volume (cm³·mol^-1): 93.410

23. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1) : -6987.74

24. Liquid phase standard claimed heat (enthalpy) (kJ·mol^-1): 89.66

25. Liquid phase standard entropy ( J·mol^-1·K^-1): 301.7

26. Liquid phase standard free energy of formation (kJ·mol^-1 ): 255.5

27. Liquid phase standard hot melt (J·mol^-1·K^-1): 195 p>

28. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): 157.15

29. Crystal phase standard combustion heat (enthalpy) (kJ·mol^-1): -6902.05

30. Crystal Phase standard claims heat (enthalpy) (kJ·mol^-1): 71.5

31. Crystal phase standard entropy (J·mol^-1· K^-1): 239.3

32. Crystal phase standard formation free energy (kJ·mol^-1): 255.8

33. Crystal phase standard hot melt (J·mol^-1·K^-1): 233

Toxicological data

Oral administration of LDL 05000mg/kg to rats. For the rest, see biphenyl.

Ecological data

This substance is harmful to the environment and it is recommended not to let it enter the environment. Can cause pollution to water bodies and the atmosphere.

Molecular structure data

1. Molar refractive index: 55.56

2. Molar volume (cm³/mol): 168.8

3. Isotonic specific volume (90.2K ): 418.3

4. Surface tension (dyne/cm): 37.6

5. Dielectric constant: 2.66

6. Dipole moment (10^-24cm³):

7. Polarizability: 22.02

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 111

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

1. Avoid contact with strong oxidants.

2.Oral administration of LDL05000mg/kg to white rats. For the rest, see biphenyl.

3. Exists in burley tobacco leaves and oriental tobacco leaves.
　

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials. Store in a cool and ventilated warehouse, away from fire and heat sources, and keep packaging intact. Should be kept sealed.

Synthesis method

1. Obtained from the reaction of benzyl chloride and benzene catalyzed by aluminum amalgam (or anhydrous aluminum trichloride, or zinc chloride). First heat the dried benzene and aluminum amalgam, then slowly add benzyl chloride, reflux for 2 hours, cool and stir with water, let stand to remove water, the remainder is washed with 5% alkali solution, washed with water, and finally distilled under reduced pressure to obtain the finished product.

2. Tobacco: BU, 14 ;OR,26.

Purpose

Manufacture dyes and spices, and also used as solvents. A substitute for geranium oil, suitable for preparing soap essence.