o-anisidine-4-sulfonic acid o-anisidine-5-sulfonic 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:98-42-0

mdl number:mfcd00035759

einecs number:202-667-5

rtecs number:none

brn number:none

pubchem number:24849653

physical property data

1. properties: white crystal, no pungent odor.

2. density (g/ml, 20℃): undetermined

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

4. melting point (ºc): 305

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

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 40ºc): not determined

12. saturated vapor pressure (kpa , 20ºc): undetermined

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

14. critical temperature (ºc): undetermined

15 . critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) distribution coefficient: undetermined

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

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

19. solubility: soluble in sodium carbonate, slightly soluble in water, soluble in ethanol .

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 47.08

2. molar volume (cm³/mol): 138.4

3. isotonic specific volume (90.2k ): 386.8

4. surface tension (dyne/cm): 60.8

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 18.66

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 0.6

2. number of hydrogen bond donors: 2

3. hydrogen bondsnumber of receptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers:

6. topological molecule polar surface area (tpsa): 89.6

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 258

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. number of uncertain atomic stereocenters: 0

13. the number of determined stereocenters of chemical bonds: 0

14. the number of uncertain stereocenters of chemical bonds: 0

15. the number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

it is an important intermediate for direct, reactive and metal complex dyes.