2,3-Dimethoxybenzaldehyde

Structural formula

Business number	01WR
Molecular formula	C9H10O3
Molecular weight	166.17
label	(CH3O)2C6H3CHO

• 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:86-51-1

MDL number:MFCD00003309

EINECS number:201-677-7

RTECS number:CU5732000

BRN number:908264

PubChem number:24893406

Physical property data

1. Character:White crystal

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC):48-52℃

5. Boiling point (ºC,Normal pressure): 137℃(ºC,12 mmHg)

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC):> 110℃

9. Specific optical rotation (º): Undetermined

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

11. 1. Molar refractive index:46.36

2. Molar volume (m³/mol）：149.1

3. isotonic specific volume (90.2K):365.6

4. Surface Tension (dyne/cm):36.1

5. Polarizability（10^-24cm³):18.37

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: 147

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 yet

Storage method

Sealed at4℃Save dry and protected from light

Synthesis method

By2-Methoxy-3-Hydroxybenzaldehyde (ortho-vanillaldehyde) is obtained by reacting with dimethyl sulfate.

Purpose

This product is organic Synthetic intermediate, used in the pharmaceutical industry to synthesize berberine, etc.

Number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Sealed at4℃Save dry and protected from light

Synthesis method

By2-Methoxy-3-Hydroxybenzaldehyde (ortho-vanillaldehyde) is obtained by reacting with dimethyl sulfate.

Purpose

This product is organic Synthetic intermediate, used in the pharmaceutical industry to synthesize berberine, etc.