1-Amino-8-naphthol-4-sulfonic acid 1-Amino-8-naphthol-4-sulfonic Acid
Structural formula
| Business number | 01U5 |
|---|---|
| Molecular formula | C10H9NO4S |
| Molecular weight | 239.24 |
| label |
1-amino-8-naphthol-4-sulfonic acid, 8-amino-1-naphthol-5-sulfonic acid, S acid, 4-amino-5-hydroxy-1-naphthalenesulfonic acid, Chicago S acid, 8-Amino-1-naphthol-5-sulfonic acid, H2NC10H5(OH)SO3H |
Numbering system
CAS number:83-64-7
MDL number:MFCD00003992
EINECS number:201-491-6
RTECS number:QK1295000
BRN number:None
PubChem ID:None
Physical property data
1. Appearance: White needle-like crystal
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL , air=1): Uncertain
4. Melting point (ºC): Uncertain
5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain
7. Refractive index: Uncertain
8. Flash point (ºC): Uncertain
9. Specific rotation (º): Uncertain.
10. Autoignition point or ignition temperature (ºC): Uncertain
11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturation Vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Log value of oil-water (octanol/water) partition coefficient: Uncertain
17. Explosion upper limit (% , V/V): Uncertain
18. Lower explosion limit (%, V/V): Uncertain
19. Solubility: soluble in alkali solution, slightly soluble in water , insoluble in ethanol and ether.
Toxicological data
1. Acute toxicity:
Rat caliber LD50: 6210mg/kg;
2. Neurotoxicity:
Rabbit eye test: 500 mg/ 24HREACTION;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 59.80
2. Molar volume (cm3/mol): 147.0
3. Isotonic specific volume (90.2K ): 448.3
4. Surface tension (dyne/cm): 86.4
5. Polarizability (10-24cm3): 23.70
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.4
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 14
6. Topological molecule polar surface area 109
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 350
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
This product should be sealed and stored away from light.
Synthesis method
It is obtained by alkali fusion and acidification of 1-naphthylamine-4,8-disulfonic acid at 200-230℃.
Purpose
Organic Synthesis. Dye intermediates. An important intermediate for the manufacture of acid dyes and leather dyes, and also used to synthesize Chicago SS acid, etc.