2,3-Dimethylbenzoic 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:603-79-2

MDL number:MFCD00002479

EINECS number:210-058-0

RTECS number:DG8734000

BRN number:971590

PubChem number:24848235

Physical property data

Physical property data: 1. Appearance: white powder or crystal

2. Melting point (°C): 144.8

3. Crystalline phase standard combustion heat (enthalpy) (kJ·mol^-1): -4520.31

4. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -450.41

Toxicological data

None

Ecological data

3. Ecological data:

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

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 42.83

2. Molar volume (cm³/mol): 134.5

3. Isotonic specific volume (90.2K): 344.6

4. Surface tension (dyne/cm): 43.1

5. Polarizability (10^-24cm³): 16.98

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: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 154

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

Properties and stability:

The product may not decompose under normal temperature and pressure.

Storage method

Storage:

Seal the container and store it in a sealed main container in a cool, dry place.

Synthesis method

None

Purpose

1. Uses

Intermediates for organic synthesis.