8-aniline-1-naphthalenesulfonic acid

Structural formula

Business number	01T5
Molecular formula	C16H13NO3S
Molecular weight	299.34
label	8-aniline-1-naphthalenesulfonic acid, N-phenyl-8-naphthylamine-1-sulfonic acid, N-phenyl-1-naphthylamine-8-sulfonic acid, N-phenyl periacid, Phenyl-1-naphthylamine-8-sulfonic acid, Phenyl periacid, N-Phenyl peri acid, ANS, ANSA, N-Phenyl-8-naphthylamine-1-sulfonic acid, C6H5NHC10H6SO3H

• 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:82-76-8

MDL number:MFCD00003998

EINECS number:201-438-7

RTECS number:None

BRN number:1843887

PubChem number:24890494

Physical property data

1. Characteristics: gray-green needle-like or leaf-like crystals.

2. Density (g/mL, 25/4℃): Undetermined

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

4. Melting point (ºC): 215~217 (decomposition)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, almost Insoluble in water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 83.01

2. Molar volume (cm³/mol): 212.3

3. Isotonic specific volume (90.2K): 605.4

4. Surface tension (dyne/cm): 66.0

5.   Polarizability (10^-24cm³): 32.91

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 74.8

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 439

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 in a cool, dry place away from light.

Synthesis method

It is derived from the condensation of aniline and peri-acid in the presence of sulfuric acid. The condensation reaction product can be distilled under reduced pressure to obtain refined N-phenyl peri-acid. React it with soda ash, steam distill it, and decolorize it with activated carbon to obtain N-phenyl peri-acid.

Purpose

Fluorescent detector for protein research. Azo dye intermediates. Used in the production of acid dyes navy blue R, weak acid black BR, weak acid dark blue 5R, GR, and sulfide brilliant green 7B, etc.

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