3,4-dimethoxybenzoic 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:93-07-2

mdl number:mfcd00002500

einecs number:202-215-7

rtecs number:dg8598750

brn number:518285

pubchem number:24893253

physical property data

1. character:acicular or prismatic crystals. odorless. can sublimate (rhombus crystal)

2. density (g/ml,25/4℃)： undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 180～181℃ (anhydrous).

5. boiling point (ºc,normal pressure):272

6. boiling point (ºc,5.2kpa): 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

12. saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of partition coefficient (water): undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: soluble in ether, benzene and carbon disulfide, slightly soluble in ethanol, almost insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 46.53

2. molar volume (m³/mol):149.9

3. isotonic specific volume (90.2k):382.7

4. surface tension (dyne/cm):42.4

5. polarizability（10^-24cm³):18.44

compute chemical data

1 , reference value for hydrophobic parameter calculation (xlogp): 1.6

2 , number of hydrogen bond donors: 1

3 , number of hydrogen bond acceptors: 4

4 , number of rotatable chemical bonds: 3

5 , number of tautomers:

6、 topological molecular polar surface area ( tpsa): 55.8

7 , number of heavy atoms: 13

8 , surface charge: 0

9 , complexity: 181

10 , isotope atomic number: 0

11 , determine the number of atomic stereocenters: 0

12 , uncertain number of atomic stereocenters: 0

13 , determine the number of stereocenters of chemical bonds: 0

14 , uncertain number of chemical bond stereocenters: 0

15 , number of covalent bond units: 1

properties and stability

none

storage method

 ​ this product should be sealed and stored in a cool, dry place away from light.

synthesis method

none

purpose

for organic synthesis.

extended-reading:https://www.morpholine.org/2-dimethylamineethanol/
extended-reading:https://www.newtopchem.com/archives/44254
extended-reading:https://www.newtopchem.com/archives/40458
extended-reading:https://www.bdmaee.net/dimethylbenzylamine-cas-103-83-3-n-dimthylbenzylamine/
extended-reading:https://www.bdmaee.net/dabco-rp205-addocat-9727p-high-efficiency-amine-catalyst/
extended-reading:https://www.newtopchem.com/archives/40530
extended-reading:https://www.bdmaee.net/high-quality-n-methylimidazole/
extended-reading:https://www.newtopchem.com/archives/623
extended-reading:https://www.bdmaee.net/lupragen-n205-catalyst-bisdimethylaminoethyl-ether-/
extended-reading:https://www.bdmaee.net/dabco-ne210-balance-catalyst-ne210-dabco-amine-catalyst/