triphenylmethane

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:519-73-3

MDL number:MFCD00004763

EINECS number:208-275-0

RTECS number:None

BRN number:1909753

PubChem ID:None

Physical property data

1. Character: light yellow liquid

2. Density (g/ cm³, 25/4℃): 1.148

3. Relative Density (25℃, 4℃): 1.0139⁹⁹

4. Melting point (ºC): 94

5. Boiling point (ºC, normal pressure): 358

6. Liquid phase standard heat of combustion (enthalpy) (kJ·mol^-1): -7396.5

7. Refractive index: 1.59546

8. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -10034.5

9. Gas phase standard claimed heat (enthalpy) (kJ· mol^-1): 271.2

10. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): 172.4

11. Vapor pressure (kPa, 25ºC): Undetermined

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

13. Heat of combustion (KJ/mol ): 58.2

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /water) logarithmic value of the distribution coefficient: 5.69

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

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

19. Solubility: 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: 79.96

2. Molar volume (cm³/mol): 232.6

3. Isotonic specific volume (90.2K ): 591.2

4. Surface tension (dyne/cm): 41.6

5. Polarizability (10^-24cm³): 31.70

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 196

10. Number of isotope atoms: 0

11. OKNumber of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The 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

Store at 2-8°C

Synthesis method

None yet

Purpose

Used in dye synthesis and also used as gas chromatography stationary solutionUsed in organic synthesis

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