2,4,5-Trichlorophenoxy propionic acid 2-(2,4,5-Trichlorophenoxy)propionic 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:93-72-1

MDL number:MFCD00002646

EINECS number:202-271-2

RTECS number:UF8225000

BRN number:1985768

PubChem number:24869259

Physical property data

1. Character:Colorless crystal.

2. Density (g/mL,25/4℃)： Undetermined

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

4. Melting point (ºC): 181.6

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

6. Boiling point (ºC, 666Pa): Undetermined

7. Refractive index: undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

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

1. Molar refractive index:58.40

2. Molar volume (m³/ mol):177.3

3. Isotonic specific volume (90.2K): 470.2

4. Surface tension (dyne/cm): 49.5

5. Polarizability（10^-24cm³):23.15

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 237

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

None yet

Storage method

This product should be sealed and stored away from light.

Synthesis method

None yet

Purpose

For organic synthesis.

�Quantity: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored away from light.

Synthesis method

None yet

Purpose

For organic synthesis.