Methyl 4-methoxybenzoate Methyl 4-methoxybenzoate

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:121-98-2

MDL number:MFCD00008437

EINECS number:204-513-2

RTECS number:BZ4925000

BRN number:2208571

PubChem number:24890546

Physical property data

1. Melting point (℃): 47.5°C

2. Boiling point (ºC): 244.5°C

Toxicological data

1. Acute toxicity: rat oral LD50: >5gm/kg

Rabbit skin LD50: >5gm/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 44.70

2. Molar volume (cm³/mol): 151.3 /p>

3. Isotonic specific volume (90.2K): 368.7

4. Surface tension (dyne/cm): 35.2

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.72

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: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 148

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

None

Storage��Method

None

Synthesis method

None

Purpose

1. Use

Used in pharmaceutical intermediates and organic synthesis.