1,8-Naphthyl sulfone

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1,8-Naphthyl sulfone

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

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. Polarizability10-24cm3):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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  • by Published on 2024-05-30 17:52:34
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