2-amino-1,5-naphthalenedisulfonic 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:117-62-4

mdl number:mfcd00021512

einecs number:204-201-6

rtecs number:qj6135000

brn number:2888645

pubchem number:24886125

physical property data

1. character: undetermined

2. density (g/ml,25℃） ：1.136

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

4. melting point (ºc): undetermined

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

6. boiling point (ºc, kpa): 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 (mmhg, ºc): undetermined

12. saturated vapor pressure (kpa, ºc): 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 the partition coefficient for water: undetermined

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

18. 2、 molar volume (m³/mol):171.3

3、 isotonic specific volume (90.2k) ：528.0

4, surface tension (dyne/cm):90.1

5、 polarizability (10^-24cm³):27.20

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.5

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 152

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 531

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

used as dye intermediate.

span>10^-24cm³):27.20

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.5

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 152

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 531

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

used as dye intermediate.