Structural formula

Business number	01TM
Molecular formula	C10H6O3S
Molecular weight	206.22
label	1,8-Naphthalenesultone, 1-Naphthol-8-sulfonic acid sultone, 8-Hydroxynaphthalene-1-sulfonic acid sultone

• 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:83-31-8

MDL number:MFCD00005937

EINECS number:201-468-0

RTECS number:None

BRN number:9381

PubChem number:24859025

Physical property data

1. Character:Light yellow needle-shaped crystal

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g /mL,AIR= 1): Unsure

4. Melting point (ºC):154-161 ℃

5. Boiling point (ºC,Normal pressure): Unsure

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flashpoint (ºC): Unsure

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): Unsure

11. Vapor pressure (kPa,25ºC): Unsure

12. saturated vapor pressure (kPa,60ºC): Unsure

13. Heat of combustion (KJ/mol): Unsure

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain

17. Explosion limit ( %,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility: Uncertain.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index:52.81

2. Molar volume (m³/mol）：132.5

3. isotonic specific volume (90.2K):374.4

4. Surface Tension (dyne/cm):63.7

5. Polarizability（10^-24cm³):20.93

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 51.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 330

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

Save in a sealed, cool and dark place.

Synthesis method

None

Purpose

For organic synthesis. Organic synthesis intermediates.

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